data_2k4z_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k4z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.491 ' HE2' HG22 ' A' ' 68' ' ' VAL . 73.7 mtp . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.598 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.617 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.617 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.614 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.834 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.614 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.458 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG22 ' HE2' ' A' ' 0' ' ' MET . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HB3' HD11 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 68' ' ' VAL . 83.7 mmm . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.502 ' HG ' HD21 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.485 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD22 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.903 0.382 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.477 ' HG2' HD21 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 HD22 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.646 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HD12 ' HE2' ' A' ' 0' ' ' MET . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 ' HB2' ' HE3' ' A' ' 0' ' ' MET . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.542 ' HG ' HD22 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.629 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 33' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HE1' HD21 ' A' ' 76' ' ' LEU . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.434 ' HG1' ' HB3' ' A' ' 51' ' ' ASP . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.629 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD22 ' HG ' ' A' ' 4' ' ' LEU . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.489 ' HB3' HD13 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.696 0.284 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.506 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 39' ' ' ASP . 9.2 p30 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.5 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' HE1' ' HB3' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.471 ' HB3' HG21 ' A' ' 74' ' ' THR . 21.1 p-10 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.556 0.217 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB2' HD13 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' HG13 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' ASP . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.502 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.733 0.778 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.435 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.579 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB3' HD13 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' HG13 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.587 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 0' ' ' MET . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.585 HG12 HD21 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.491 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' HD1' ' HB1' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 91' ' ' LEU . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 1.8 tmm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.454 ' HG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.417 ' CG ' HD12 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.497 HD23 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.682 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HD2' HD23 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.593 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.425 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 0' ' ' MET . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.509 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 52.3 t30 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.495 ' HE1' ' HB2' ' A' ' 2' ' ' PHE . 11.8 tpt . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.495 ' HB2' ' HE1' ' A' ' 0' ' ' MET . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 42' ' ' MET . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.505 ' HG2' HD21 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.832 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.832 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG22 HD13 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.507 ' HG3' HD21 ' A' ' 54' ' ' LEU . 92.1 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB3' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.474 HD11 HD21 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.444 ' CG ' HD13 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' HG2' HG11 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.696 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG11 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.65 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 88' ' ' PHE . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' HD13 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.516 ' HE2' ' HB2' ' A' ' 2' ' ' PHE . 25.6 ttt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.516 ' HB2' ' HE2' ' A' ' 0' ' ' MET . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB2' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.65 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.65 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 120.834 0.349 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 HG23 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD11 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 88' ' ' PHE . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 68' ' ' VAL . 13.2 tmm? . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.461 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.836 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.836 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.667 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.524 HD11 HG22 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.525 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.586 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.547 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB3' HD13 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.667 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.592 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.621 0.248 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HB2' HG22 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HG ' HD21 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.471 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.407 ' N ' HD22 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.516 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.516 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 HG11 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.592 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HB3' HD12 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 HG23 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.631 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.631 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 64' ' ' ALA . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.721 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.518 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.433 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.646 ' SD ' HG12 ' A' ' 68' ' ' VAL . 86.7 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.514 ' HG ' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG22 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD21 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' HD21 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG22 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 HD13 HD11 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.646 HG12 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 4' ' ' LEU . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.518 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HE1' ' HB2' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.47 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.504 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' HG ' HD21 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.597 ' SG ' HD13 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD23 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD13 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG23 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 HG23 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.498 ' HB1' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.498 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.504 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.538 HD21 ' HG ' ' A' ' 4' ' ' LEU . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HG ' HG21 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.506 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' HG22 ' A' ' 74' ' ' THR . 19.3 t30 . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 63' ' ' ILE . 62.3 mmm . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' SG ' HD22 ' A' ' 47' ' ' LEU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.638 HD21 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD22 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.638 HG12 HD21 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 0' ' ' MET . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' SD ' ' A' ' 0' ' ' MET . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.617 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.617 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.497 ' HB2' HD11 ' A' ' 54' ' ' LEU . 47.9 mmm . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.521 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.523 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.48 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.854 ' HG ' HG12 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.854 HG12 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 HG11 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.46 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG12 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.776 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' ' HB2' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.776 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.511 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.492 HD12 HG22 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.64 HG12 HD21 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.433 HG13 HG23 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.532 HD22 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.493 ' HB2' HD12 ' A' ' 54' ' ' LEU . 95.4 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.798 0.333 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HD3' HG22 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.442 HD12 HD12 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 32.3 m-80 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.086 0.47 . . . . 0.0 111.924 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 47' ' ' LEU . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD22 HG12 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.522 HD12 HG23 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.726 HG12 HD22 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG12 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HD13 ' HE2' ' A' ' 0' ' ' MET . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.436 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.694 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.414 HG23 HD22 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.474 ' HB2' HG23 ' A' ' 74' ' ' THR . 53.1 t-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.499 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.513 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 9.9 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.462 ' HE3' ' HA ' ' A' ' 45' ' ' ASP . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.744 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.744 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.496 ' HG2' HD21 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.462 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.444 HD12 HG23 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.613 HG12 HD22 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.514 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -140.3 -170.43 12.03 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.175 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.7 m -71.81 -48.55 45.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.868 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.1 m -73.22 112.15 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -102.83 118.14 36.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.787 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -126.22 149.61 48.94 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -72.92 -36.99 67.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -76.6 116.44 17.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -78.48 -9.6 59.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 0.0 110.262 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -150.75 96.23 2.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.26 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.7 m -66.35 143.76 56.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.827 0.346 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 14.9 m -88.78 -31.63 18.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . 0.88 ' HA2' ' HG3' ' A' ' -4' ' ' ARG . . . 175.67 -125.14 1.04 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' ' -6' ' ' VAL . 38.1 tp 65.17 -80.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.255 0.622 . . . . 0.0 112.287 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.767 ' HB ' ' HD3' ' A' ' -5' ' ' PRO . 61.5 t -119.03 -59.12 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -174.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.767 ' HD3' ' HB ' ' A' ' -6' ' ' VAL . 50.1 Cg_exo -55.43 -32.33 81.54 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.591 2.194 . . . . 0.0 113.246 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . 0.88 ' HG3' ' HA2' ' A' ' -8' ' ' GLY . 12.6 ptp180 -139.67 165.21 27.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.362 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.4 -112.8 0.8 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.764 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.492 ' HB3' HD23 ' A' ' 54' ' ' LEU . 67.0 m -94.05 155.8 16.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.105 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -71.49 -19.94 62.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.668 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.491 ' HE2' HG22 ' A' ' 68' ' ' VAL . 73.7 mtp -133.16 161.24 34.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.757 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.598 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -75.09 137.6 72.49 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.77 99.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.008 2.472 . . . . 0.0 112.679 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 52.99 77.0 0.18 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.124 0.89 . . . . 0.0 110.568 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.53 -76.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.944 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' ' OD1' ' A' ' 95' ' ' ASP . 17.3 p -157.11 143.43 18.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.617 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.617 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.834 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.614 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.458 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG22 ' HE2' ' A' ' 0' ' ' MET . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HB3' HD11 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -101.69 123.4 44.24 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.89 -15.87 36.76 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.383 2.055 . . . . 0.0 111.676 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -74.27 -45.02 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.793 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.543 ' OD1' ' HA ' ' A' ' 37' ' ' SER . 13.4 t70 -109.01 99.85 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.89 113.35 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 123.115 2.543 . . . . 0.0 113.288 -172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -81.85 -31.55 31.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.526 0.679 . . . . 0.0 109.216 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -133.94 111.47 10.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.085 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -131.94 113.45 14.96 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.689 0.281 . . . . 0.0 110.925 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.86 162.62 42.01 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.701 2.267 . . . . 0.0 111.01 174.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.73 161.11 43.28 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.42 2.08 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -75.08 125.03 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.99 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.7 37.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.959 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.42 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.14 154.51 26.64 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 13.9 m -69.2 101.38 1.46 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.017 0.437 . . . . 0.0 110.724 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.8 m -70.8 99.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.826 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -71.41 -8.0 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.713 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -85.97 -5.87 59.15 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.884 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 71.84 -47.77 0.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.668 0.787 . . . . 0.0 112.466 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -58.76 128.06 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -74.99 -28.64 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.745 -169.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -73.56 -23.03 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.246 0.545 . . . . 0.0 109.86 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 22.1 m -105.22 48.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.662 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 3.0 p -66.18 101.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.866 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 161.42 -174.8 38.02 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.451 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.88 -54.68 4.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 59.8 t -111.02 117.08 50.8 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.954 174.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 1.7 Cg_endo -82.13 131.47 6.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.834 2.356 . . . . 0.0 112.812 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -88.14 98.94 11.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.51 65.1 0.33 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -167.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.9 m -65.86 149.83 49.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 112.225 -170.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -122.37 163.76 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.322 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 68' ' ' VAL . 83.7 mmm -87.59 -47.39 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 -173.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' HG ' HD21 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.485 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD22 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -89.27 126.69 57.84 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.83 -18.92 23.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.803 2.336 . . . . 0.0 112.527 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -71.39 -29.09 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.501 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.62 -26.24 1.66 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 119.936 -1.126 . . . . 0.0 114.361 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -88.49 155.86 19.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.758 0.779 . . . . 0.0 111.789 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.477 ' HG2' HD21 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 HD22 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.646 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HD12 ' HE2' ' A' ' 0' ' ' MET . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' HB2' ' HE3' ' A' ' 0' ' ' MET . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.1 m120 -102.92 125.53 35.16 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 13.0 Cg_exo -70.34 7.68 1.1 Allowed 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.181 2.587 . . . . 0.0 113.157 -176.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -121.94 -10.59 8.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.03 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 17.9 t70 -108.82 142.9 26.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.606 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 4.1 Cg_exo -76.87 16.54 0.94 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.315 2.677 . . . . 0.0 114.532 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.3 m -52.07 -44.78 64.47 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.237 0.541 . . . . 0.0 110.555 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -129.46 110.85 12.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 99' ' ' ARG . 9.9 tpt180 -140.55 102.87 6.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.989 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.82 140.32 31.87 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.681 2.254 . . . . 0.0 111.282 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 104.5 0.37 Allowed 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.36 2.04 . . . . 0.0 111.873 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -97.98 144.0 27.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.159 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.46 40.82 1.89 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.948 -0.918 . . . . 0.0 111.493 179.643 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 39.3 ttm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -123.25 -41.11 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.2 p -95.07 18.77 11.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 2.2 p -82.55 179.32 7.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -63.81 -45.28 90.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -86.94 140.82 29.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 169.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -97.13 177.63 5.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.958 0.409 . . . . 0.0 111.311 -175.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -95.04 4.2 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.116 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.92 90.07 3.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.389 . . . . 0.0 111.189 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -118.67 -15.3 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.291 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 12.2 p -70.48 -31.93 69.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 5.0 p -64.45 -32.77 74.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.739 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -81.54 -34.11 26.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.158 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.81 -40.41 65.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 42.6 t -127.0 88.93 53.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.97 104.03 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.457 2.105 . . . . 0.0 112.077 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -72.34 116.84 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 122.36 29.86 1.26 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.428 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 m -87.77 -20.46 26.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -141.24 170.43 15.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt -138.8 126.63 22.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.671 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' HG ' HD22 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.629 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 33' ' ' ASN . 0.7 OUTLIER -103.27 155.08 37.19 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.26 -32.57 96.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.495 2.13 . . . . 0.0 112.305 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -99.36 -39.4 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 110.239 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -120.96 77.72 0.32 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.454 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -59.02 -11.51 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HE1' HD21 ' A' ' 76' ' ' LEU . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.434 ' HG1' ' HB3' ' A' ' 51' ' ' ASP . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.629 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD22 ' HG ' ' A' ' 4' ' ' LEU . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' HB3' HD13 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 m-20 -96.05 131.35 29.09 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 3.0 Cg_exo -76.46 -12.68 18.68 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.118 2.545 . . . . 0.0 112.625 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -96.53 -41.2 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 0.0 110.608 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . 5.6 m-20 -71.95 158.41 87.74 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.045 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 95' ' ' ASP . 1.3 Cg_endo -44.27 103.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.566 2.844 . . . . 0.0 113.13 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.02 145.52 24.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.919 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -114.31 110.53 20.07 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.269 0.557 . . . . 0.0 111.186 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.518 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . 46.3 ttm180 -63.7 -50.69 70.4 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.785 174.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 99' ' ' ARG . 72.6 Cg_endo -80.65 122.05 4.35 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.707 1.605 . . . . 0.0 111.753 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 3.1 Cg_exo -76.34 46.39 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.36 2.707 . . . . 0.0 112.716 -178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -122.38 156.17 34.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.23 87.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.602 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.905 -0.942 . . . . 0.0 110.846 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.942 0.401 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 87.09 21.06 51.3 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.795 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 m -69.31 -16.36 63.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.127 0.489 . . . . 0.0 110.783 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 3.4 p -86.93 -7.46 58.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.44 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.63 -35.49 72.96 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.825 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -104.63 111.23 23.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -86.16 93.27 8.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.487 0.66 . . . . 0.0 111.715 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -153.31 13.2 0.49 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -118.79 115.35 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.568 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -87.71 3.56 47.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 110.074 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 45.0 p -126.02 -169.78 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.472 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 10.6 m -71.97 -16.01 62.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.402 . . . . 0.0 110.996 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -178.25 -75.46 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.944 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -104.72 170.55 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.35 159.97 36.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.775 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.3 157.24 62.7 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.698 2.265 . . . . 0.0 111.959 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -75.38 -29.93 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.99 0.424 . . . . 0.0 110.28 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -99.91 134.04 11.53 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.599 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.8 m -84.51 94.57 8.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.526 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.24 106.79 3.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.245 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 80.4 mtp -90.66 170.22 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.676 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.449 ' HB3' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.506 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 39' ' ' ASP . 9.2 p30 -104.28 142.39 24.52 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 27.5 Cg_exo -63.85 -18.52 64.25 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.442 2.761 . . . . 0.0 113.688 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.76 -38.55 86.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.088 0.471 . . . . 0.0 110.472 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -116.74 -91.42 1.62 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.508 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -174.93 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.5 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' HE1' ' HB3' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.471 ' HB3' HG21 ' A' ' 74' ' ' THR . 21.1 p-10 -117.3 85.65 19.98 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.47 -4.16 14.95 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.763 2.308 . . . . 0.0 111.849 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -66.56 -32.37 73.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.742 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.57 122.65 69.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 167.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -37.3 89.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.288 3.325 . . . . 0.0 114.826 -170.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.5 p -144.73 131.81 20.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.012 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.594 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 86.7 m-85 57.55 -96.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.506 0.504 . . . . 0.0 109.929 -173.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.594 ' HD2' ' O ' ' A' ' 98' ' ' TYR . 16.7 mmm180 -140.62 130.01 13.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.49 149.26 67.44 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.583 2.189 . . . . 0.0 111.801 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.03 89.78 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.99 2.46 . . . . 0.0 112.406 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 m -89.57 49.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.665 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -143.49 28.6 2.05 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.965 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 CA-C-O 118.323 -1.265 . . . . 0.0 111.569 179.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -138.51 -164.0 9.77 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.278 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -18' ' ' SER . . . . . 0.62 ' HA ' ' HE1' ' A' ' -12' ' ' HIS . 24.5 m -93.96 125.74 38.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.2 m -154.3 170.88 20.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -76.36 -38.95 55.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.385 . . . . 0.0 110.698 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -84.77 -4.47 59.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.421 . . . . 0.0 110.668 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -113.98 113.01 24.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.371 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -103.61 130.26 51.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.227 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . 0.62 ' HE1' ' HA ' ' A' ' -18' ' ' SER . 38.0 m80 -97.33 148.98 22.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.86 161.13 36.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 30.3 t -112.9 121.81 45.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 17.3 m -95.89 10.4 37.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.315 0.578 . . . . 0.0 109.978 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -135.06 159.85 24.13 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.193 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -88.93 118.93 29.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 0.0 110.736 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.563 ' N ' ' HD2' ' A' ' -5' ' ' PRO . 13.3 m -70.39 -31.23 2.15 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.276 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' -6' ' ' VAL . 54.9 Cg_endo -71.13 133.14 22.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.078 1.185 . . . . 0.0 110.794 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -74.22 -31.8 62.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.207 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.36 -62.86 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.173 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.3 m -144.63 162.15 37.37 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.817 -0.225 . . . . 0.0 110.562 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.452 ' HD1' ' HG3' ' A' ' 0' ' ' MET . 56.7 t-80 -63.65 -38.84 92.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.452 ' HG3' ' HD1' ' A' ' -1' ' ' HIS . 82.2 mtp -131.99 167.83 18.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.587 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB2' HD13 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -95.61 97.78 3.16 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -35.72 102.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.1 3.2 . . . . 0.0 113.749 -169.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 56.7 82.35 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.728 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 171.45 -53.89 0.18 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.944 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m -156.1 121.66 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' HG ' HG13 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' ASP . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -117.13 115.06 38.56 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.11 -10.89 11.23 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 0.0 112.45 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -76.6 -53.78 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.215 0.531 . . . . 0.0 110.319 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -98.95 145.15 29.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.125 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 78.91 0.08 OUTLIER 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.768 2.312 . . . . 0.0 113.663 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 m -90.34 -54.5 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -115.69 99.76 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.778 170.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -98.23 154.03 37.83 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.651 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.91 136.64 77.78 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.653 2.235 . . . . 0.0 111.802 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.33 -168.36 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.001 2.468 . . . . 0.0 112.438 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 108.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.052 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.0 11.43 6.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.875 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.597 178.01 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.82 0.343 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 84.85 -38.81 2.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.354 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.1 p -58.27 -37.33 74.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -23.9 66.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 111.405 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -101.45 -9.22 21.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.146 0.498 . . . . 0.0 110.156 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -86.14 -40.54 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.638 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -105.33 116.64 32.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.552 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 160.19 14.69 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -95.35 -29.03 14.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.003 0.43 . . . . 0.0 110.293 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -131.55 143.35 50.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.854 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.8 m -83.05 173.85 11.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 45.2 t -122.49 149.22 44.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -99.46 135.5 12.18 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 31.3 tp -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.67 136.75 67.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.308 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.24 155.23 70.88 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.91 2.406 . . . . 0.0 111.847 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -76.93 -34.85 57.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.666 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 66.39 -104.19 1.01 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.609 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.0 t -149.14 179.94 7.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -88.7 -19.88 25.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.225 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.502 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm 69.09 99.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.099 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -77.68 129.96 75.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -48.72 93.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.845 3.03 . . . . 0.0 114.017 -173.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.59 22.84 3.21 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.981 -1.009 . . . . 0.0 113.164 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.3 -83.4 1.41 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -135.22 -146.1 0.24 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB3' HD13 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' HG13 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.587 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 0' ' ' MET . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.585 HG12 HD21 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.491 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' HD1' ' HB1' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 91' ' ' LEU . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.19 108.54 52.71 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.53 -12.6 36.24 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.944 2.43 . . . . 0.0 112.339 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -75.22 -14.81 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.268 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 16.4 t70 -75.96 148.43 81.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 9.7 Cg_endo -54.15 -16.22 9.19 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.944 2.429 . . . . 0.0 113.017 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.417 ' HB ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -125.97 150.84 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.254 -0.279 . . . . 0.0 110.349 177.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.55 -35.43 70.64 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.47 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 46.1 ttt180 -108.1 104.69 54.46 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.931 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 99' ' ' ARG . 5.1 Cg_endo -46.86 111.55 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.755 2.97 . . . . 0.0 112.858 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 97' ' ' THR . 61.0 Cg_endo -72.98 -22.19 19.94 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.706 2.27 . . . . 0.0 111.947 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -97.34 7.23 46.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.73 67.2 1.89 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.012 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.387 -1.229 . . . . 0.0 111.74 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 115.92 -46.69 1.12 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.126 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 t -77.38 124.57 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.1 m -85.26 5.33 30.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 69.66 25.28 5.24 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.844 0.457 . . . . 0.0 111.67 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -127.12 129.31 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -110.64 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -98.59 115.06 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -116.65 104.3 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.825 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -85.24 97.01 9.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.406 0.622 . . . . 0.0 109.749 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.1 m -56.7 144.98 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.965 -175.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 50.5 m -66.21 109.38 2.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 104.96 8.85 35.79 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.826 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.6 106.16 8.09 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 13.4 m -68.06 125.83 91.93 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.202 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 24.2 Cg_exo -64.26 155.38 65.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.054 2.503 . . . . 0.0 112.446 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -84.75 -45.03 12.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.008 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -149.91 34.68 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.759 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . 3.9 p -88.35 164.3 15.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.839 0.352 . . . . 0.0 110.973 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.28 15.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.071 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 1.8 tmm? -158.77 163.71 36.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.454 ' HG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -96.09 107.15 33.05 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.84 -15.66 44.38 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.543 2.162 . . . . 0.0 111.455 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.91 -22.21 29.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.676 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.27 -113.17 0.99 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.019 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -118.87 172.11 7.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.417 ' CG ' HD12 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.497 HD23 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.682 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HD2' HD23 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.593 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.425 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 0' ' ' MET . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.509 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.492 ' O ' ' HD2' ' A' ' 96' ' ' PRO . 52.3 t30 56.32 78.86 0.36 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.81 75.4 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.774 2.316 . . . . 0.0 111.328 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -153.82 -55.57 0.11 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.86 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.772 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 13.0 m-20 -99.12 -55.78 0.17 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.772 ' HD3' ' HB2' ' A' ' 95' ' ' ASP . 3.0 Cg_exo -76.34 118.39 4.91 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.134 1.889 . . . . 0.0 111.553 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 p -97.92 118.47 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -94.68 105.64 17.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -87.6 116.67 66.88 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -93.05 169.6 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.309 2.673 . . . . 0.0 111.94 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.85 -8.58 21.89 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 111.71 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -69.0 -20.19 64.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.471 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.56 114.26 6.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.318 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.607 -1.107 . . . . 0.0 111.471 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.67 86.26 1.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.647 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.5 p 47.88 73.87 0.19 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.432 0.693 . . . . 0.0 111.808 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.2 m -63.65 -40.19 96.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.875 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -81.45 100.67 9.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -82.35 142.23 32.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.484 -171.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -125.85 140.66 52.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -78.86 -33.32 45.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.423 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -101.52 131.33 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -64.15 114.39 4.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 15.4 m -92.21 126.01 37.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.428 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 29.5 t -151.29 156.2 40.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.804 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.87 -16.74 79.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -92.2 104.1 16.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 16.4 m 38.1 88.05 0.1 Allowed Pre-proline 0 N--CA 1.474 0.75 0 O-C-N 124.447 1.092 . . . . 0.0 113.516 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.26 -26.55 77.17 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.088 2.525 . . . . 0.0 112.242 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . 0.418 ' O ' ' HD2' ' A' ' -4' ' ' ARG . 0.0 OUTLIER -133.96 148.85 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.573 173.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.24 50.22 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.44 46.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.698 0.399 . . . . 0.0 111.37 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -153.46 -63.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.389 -0.194 . . . . 0.0 110.915 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.495 ' HE1' ' HB2' ' A' ' 2' ' ' PHE . 11.8 tpt -65.74 120.9 13.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.495 ' HB2' ' HE1' ' A' ' 0' ' ' MET . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 42' ' ' MET . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -87.46 106.86 12.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -36.03 -63.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.589 3.526 . . . . 0.0 114.783 -167.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.46 6.53 22.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.704 0.288 . . . . 0.0 111.076 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -71.02 1.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.364 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -163.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.505 ' HG2' HD21 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.832 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.832 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG22 HD13 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 94' ' ' ARG . 32.8 p-10 -144.83 158.97 51.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.25 22.64 0.9 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.638 2.225 . . . . 0.0 112.624 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 34.0 mtm105 -118.05 -55.04 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.943 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.13 167.24 15.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.914 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.68 117.95 4.54 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.473 2.115 . . . . 0.0 112.182 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 m -63.27 -40.39 97.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.333 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.29 127.63 44.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.209 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -139.22 99.54 8.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.546 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.0 159.48 33.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.95 2.433 . . . . 0.0 112.053 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.84 -51.19 11.33 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.226 2.617 . . . . 0.0 113.035 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 p -75.36 -72.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.42 -167.79 27.61 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.769 -178.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.792 0.33 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -76.74 77.17 1.48 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 24.5 m -58.66 110.49 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.158 0.504 . . . . 0.0 111.719 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 41.3 t -84.82 133.74 34.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.328 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -65.83 -42.32 90.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.712 0.291 . . . . 0.0 110.615 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -93.71 145.65 24.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.96 -52.08 7.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.766 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -116.87 135.73 53.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -108.4 156.46 19.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.72 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -144.49 92.22 2.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.72 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.5 m -79.22 141.22 37.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 67.9 m -106.82 152.03 24.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.732 0.301 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.33 43.77 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.512 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.3 153.2 28.58 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 26.0 t 60.33 82.42 0.23 Allowed Pre-proline 0 C--O 1.234 0.256 0 O-C-N 123.873 0.733 . . . . 0.0 110.696 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.16 22.72 0.9 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.653 2.235 . . . . 0.0 113.001 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -146.54 131.38 18.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.367 . . . . 0.0 111.008 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.36 159.99 20.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.699 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -85.94 174.86 8.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.52 -20.49 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.507 ' HG3' HD21 ' A' ' 54' ' ' LEU . 92.1 mmm -87.51 134.91 33.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.584 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB3' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 47.8 m-80 -90.61 118.22 68.54 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 37.9 Cg_exo -58.74 -16.82 32.86 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.321 2.681 . . . . 0.0 113.061 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.95 -15.42 62.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.763 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.76 29.55 3.55 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.715 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.625 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 22.6 t -128.17 98.83 5.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.474 HD11 HD21 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.444 ' CG ' HD13 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' HG2' HG11 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.696 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG11 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.65 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 88' ' ' PHE . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' HD13 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -72.25 122.87 88.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.13 178.01 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.967 2.444 . . . . 0.0 112.335 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.625 ' HD3' ' HA ' ' A' ' 37' ' ' SER . 79.4 mtt85 -95.11 -2.09 50.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.94 -174.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.787 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 17.8 t70 -157.91 -59.7 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 2.2 Cg_endo -81.57 149.27 16.44 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.302 2.002 . . . . 0.0 112.582 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -82.89 139.94 33.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.229 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -63.86 -23.7 67.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.267 0.556 . . . . 0.0 109.746 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -101.14 117.26 62.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.367 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.93 139.0 38.61 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.556 2.17 . . . . 0.0 112.074 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.31 -36.92 76.72 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.662 2.241 . . . . 0.0 111.214 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 m -94.19 98.92 11.28 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.382 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -145.32 -133.28 2.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.082 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.702 -1.054 . . . . 0.0 112.017 -177.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.784 0.326 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.87 151.78 22.51 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 t -94.37 87.77 5.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.218 0.532 . . . . 0.0 110.216 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 16.9 m -100.1 -10.15 21.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.359 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -80.06 73.5 6.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.532 . . . . 0.0 110.921 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.17 103.55 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.795 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -126.7 95.91 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.266 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -71.07 -44.51 65.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -84.78 112.15 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.19 -34.87 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.165 0.507 . . . . 0.0 110.234 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 44.5 t -113.83 128.8 56.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.22 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 1.5 t -141.41 150.31 42.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.288 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -90.03 -137.43 6.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.977 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -76.7 -75.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 30.5 m -117.88 140.39 27.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.435 -175.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 3.9 Cg_endo -86.5 138.51 5.44 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.27 2.647 . . . . 0.0 111.546 175.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -87.47 -32.08 19.66 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 65.96 -118.5 11.42 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.149 -0.932 . . . . 0.0 114.099 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 45.7 m -69.57 108.18 3.72 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -113.42 34.13 4.71 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 167.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.516 ' HE2' ' HB2' ' A' ' 2' ' ' PHE . 25.6 ttt -49.07 130.35 18.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.693 -1.594 . . . . 0.0 113.334 -170.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.516 ' HB2' ' HE2' ' A' ' 0' ' ' MET . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB2' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.65 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.65 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -91.82 157.61 41.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.08 -19.63 64.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.75 2.3 . . . . 0.0 111.963 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.09 -21.9 63.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.872 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.96 -14.33 52.49 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -74.92 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.416 -0.392 . . . . 0.0 111.068 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 HG23 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD11 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 88' ' ' PHE . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 -116.36 110.13 43.38 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -60.21 -22.71 71.42 Favored 'Trans proline' 0 N--CA 1.473 0.32 0 C-N-CA 123.555 2.837 . . . . 0.0 113.962 -171.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.97 -26.31 43.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 110.674 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -98.42 148.39 34.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.638 -173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.33 92.65 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.885 2.39 . . . . 0.0 112.424 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.8 m -94.57 -37.65 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.47 0.652 . . . . 0.0 109.624 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.86 116.58 21.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.262 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 104' ' ' GLY . 12.5 ttp180 -112.6 113.71 50.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.927 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.28 149.85 81.29 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.656 2.237 . . . . 0.0 110.789 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.32 -33.46 96.18 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 111.948 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -111.93 111.08 21.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.458 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.24 25.42 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.124 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 99' ' ' ARG . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.484 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -105.54 -43.0 1.64 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 14.2 m -137.05 105.1 5.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 82.0 p -64.36 166.1 8.7 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.178 0.513 . . . . 0.0 111.624 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.78 -17.02 62.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.639 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -86.84 -34.75 19.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.418 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -66.92 -34.23 77.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 109.909 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -68.37 128.3 36.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -77.5 67.75 3.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.8 0.81 . . . . 0.0 111.779 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -136.18 17.27 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.704 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 41.7 t -81.61 59.33 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.225 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 69.8 m -75.47 95.0 3.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.0 -99.04 2.57 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.045 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.69 -13.71 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.731 0.301 . . . . 0.0 111.122 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 17.8 m -66.59 136.01 94.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 37.2 Cg_exo -61.76 115.64 2.93 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.019 2.479 . . . . 0.0 112.151 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -79.1 -16.17 57.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.276 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.03 106.48 3.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.134 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.9 p -63.96 114.4 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.595 0.236 . . . . 0.0 110.543 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -71.13 -22.98 62.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 68' ' ' VAL . 13.2 tmm? -137.55 132.09 32.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.461 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.836 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 -99.11 145.91 30.81 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -36.43 -55.79 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 124.459 3.439 . . . . 0.0 115.716 -170.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.29 83.97 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.252 -176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.73 49.75 6.38 Favored Glycine 0 C--N 1.32 -0.352 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.929 165.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.836 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m -152.5 159.3 43.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 95' ' ' ASP . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.667 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.524 HD11 HG22 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 HD13 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.503 ' HB3' HH12 ' A' ' 94' ' ' ARG . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.525 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.586 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.547 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB3' HD13 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.667 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -123.41 128.26 25.3 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -2.71 12.96 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.666 2.244 . . . . 0.0 113.58 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.503 HH12 ' HB3' ' A' ' 72' ' ' ASP . 61.6 mtt180 -97.21 -38.38 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.84 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.518 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 29.4 t70 -109.62 104.66 55.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 176.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.588 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 1.7 Cg_endo -81.16 74.25 5.58 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.767 2.312 . . . . 0.0 110.621 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -52.41 -33.78 45.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.791 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -94.73 -0.93 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 96' ' ' PRO . 31.9 ttp180 -165.34 96.23 0.84 Allowed Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.414 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 175.05 1.83 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.873 2.382 . . . . 0.0 111.685 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.73 49.16 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.967 2.445 . . . . 0.0 112.318 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -163.43 152.34 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -149.97 -80.2 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.866 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.251 176.514 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -54.46 148.42 21.15 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.9 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 10.5 m -57.62 -57.59 12.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 111.14 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.2 p -101.64 135.18 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.985 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -99.94 122.96 43.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.568 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -68.0 -39.4 83.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 109.667 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -98.73 124.11 43.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.383 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -73.36 -48.98 29.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -116.58 140.41 49.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.898 0.38 . . . . 0.0 110.795 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -113.45 133.36 55.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.619 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m -92.99 34.89 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.314 0.578 . . . . 0.0 110.86 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.7 p -127.02 43.43 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.503 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -82.86 169.6 48.76 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.091 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.1 150.21 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 67.2 t 65.01 97.73 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.242 0 O-C-N 123.676 0.61 . . . . 0.0 110.803 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.96 158.55 34.49 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 111.913 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.76 -31.47 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.31 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . 93.38 8.15 61.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.564 -176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.5 p -76.04 33.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.245 0.545 . . . . 0.0 111.455 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' -3' ' ' GLY . 12.5 t-160 -122.31 -3.58 8.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.592 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm -151.15 95.37 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.39 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HB2' HG22 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HG ' HD21 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -103.92 101.59 26.23 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.81 -21.57 64.33 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.376 2.718 . . . . 0.0 113.916 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.34 -11.99 41.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.112 0.482 . . . . 0.0 110.848 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.32 -85.4 0.26 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.382 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.0 p -163.72 -173.52 3.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 94' ' ' ARG . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.471 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.407 ' N ' HD22 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.516 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.516 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 HG11 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.592 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HB3' HD12 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -170.21 115.42 0.48 Allowed Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.494 ' HG2' ' HB2' ' A' ' 98' ' ' TYR . 77.4 Cg_exo -47.94 119.2 3.65 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.447 2.098 . . . . 0.0 111.416 176.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 42.7 mtm180 -81.1 22.53 0.63 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.584 -170.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.829 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 38.2 t70 -171.05 -58.95 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.872 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 6.0 Cg_exo -79.41 -173.05 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.492 2.128 . . . . 0.0 112.317 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 m -99.35 157.93 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.975 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.494 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 76.9 t80 -112.84 149.15 33.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.505 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.68 93.77 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 O-C-N 123.854 0.721 . . . . 0.0 110.673 173.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -95.26 128.64 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.49 2.793 . . . . 0.0 112.498 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.19 -61.3 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.311 2.007 . . . . 0.0 112.007 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p -100.81 109.67 21.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.04 -113.64 1.15 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.939 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 118.362 -1.244 . . . . 0.0 111.647 -178.803 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -165.94 -111.25 0.24 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.0 p -69.87 141.47 53.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.716 0.293 . . . . 0.0 110.369 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.9 t -71.71 121.66 19.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.18 152.01 43.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.465 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.58 -38.43 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -134.7 143.21 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.673 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -84.92 132.22 34.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -55.95 -27.49 52.66 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -167.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -142.45 129.78 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.323 . . . . 0.0 110.444 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 13.1 m -75.72 139.33 41.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.679 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 4.7 m -63.19 -19.22 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -70.26 -17.14 73.86 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.219 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -91.62 66.19 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.46 111.4 59.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.505 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.0 -2.67 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.839 2.36 . . . . 0.0 112.179 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -78.58 -19.8 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.046 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -99.96 2.04 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 m 52.44 49.31 20.74 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 171.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -74.56 83.43 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.31 144.68 26.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.474 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.68 154.51 87.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.22 -24.05 48.58 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.797 2.331 . . . . 0.0 112.969 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.33 -0.27 49.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.365 . . . . 0.0 111.417 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.84 61.13 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.311 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -69.32 113.72 6.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 HG23 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.631 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.631 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 64' ' ' ALA . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.721 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.518 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.433 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' HG ' ' CE2' ' A' ' 98' ' ' TYR . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 -140.64 150.86 61.72 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 4.2 Cg_exo -82.17 29.46 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.234 2.623 . . . . 0.0 111.477 175.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -107.09 -30.14 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.88 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.17 140.08 22.73 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.35 -11.65 1.24 Allowed 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.538 2.825 . . . . 0.0 114.592 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.9 m -61.52 -39.91 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.501 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' CE2' ' HG ' ' A' ' 91' ' ' LEU . 67.8 m-85 -122.53 108.61 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.31 0.576 . . . . 0.0 110.192 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 99' ' ' ARG . 19.0 mtp180 -102.01 123.42 43.67 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.57 -171.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.1 152.63 24.43 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.523 2.149 . . . . 0.0 111.48 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.95 -20.2 64.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.524 2.149 . . . . 0.0 112.071 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -95.23 3.1 54.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.46 -173.54 18.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.02 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.522 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -64.21 -39.51 97.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.479 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 p -128.89 105.26 8.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.902 0.382 . . . . 0.0 110.046 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.6 p -67.93 -28.57 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -89.73 100.55 13.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -72.17 116.1 12.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.43 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -65.51 -29.11 69.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.079 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -94.17 88.43 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 92.78 4.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.66 -170.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -100.2 157.53 16.51 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 171.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.7 p -75.24 10.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.8 p -111.82 131.28 55.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.244 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -74.71 -30.06 60.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.955 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.52 158.79 20.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.896 0.379 . . . . 0.0 110.666 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 24.8 m -89.81 139.8 27.76 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 8.3 Cg_exo -72.51 164.48 35.48 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.959 2.439 . . . . 0.0 112.306 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -99.67 141.44 32.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -73.46 144.23 33.98 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.302 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.1 m -81.18 170.68 15.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -99.28 -46.97 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.646 ' SD ' HG12 ' A' ' 68' ' ' VAL . 86.7 mmm -135.4 140.06 44.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.231 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' HG ' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG22 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD21 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.59 117.15 66.65 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -32.48 90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.889 3.726 . . . . 0.0 114.909 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 49.65 34.3 7.06 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.371 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.05 -65.64 0.32 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.927 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p -150.44 170.67 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' HD21 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG22 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 HD13 HD11 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.646 HG12 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 4' ' ' LEU . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.518 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HE1' ' HB2' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -124.27 124.46 25.83 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.87 -10.54 27.2 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.761 2.307 . . . . 0.0 113.082 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -90.62 8.01 36.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.478 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 17.8 t70 -147.86 151.42 38.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 68.1 Cg_exo -39.38 99.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.015 2.477 . . . . 0.0 112.98 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.27 146.09 25.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.293 -172.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -82.32 104.07 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 175.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -108.32 107.14 59.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.63 130.21 19.1 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.951 2.434 . . . . 0.0 112.134 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.82 -9.5 21.4 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.064 2.509 . . . . 0.0 112.026 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -71.62 -18.32 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.734 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.33 -78.91 0.38 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.201 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.13 -1.372 . . . . 0.0 111.327 -179.219 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.56 0.219 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -80.05 49.52 3.76 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.26 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.2 m -109.3 98.29 7.73 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 19.3 m -101.18 108.41 20.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -75.29 107.74 7.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -77.0 126.59 31.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -95.81 113.52 25.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -100.36 156.33 17.31 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -65.8 -40.65 92.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -98.66 99.68 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.161 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.7 m -77.88 161.61 27.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.951 -176.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' SER . . . . . 0.443 ' O ' HG21 ' A' ' -6' ' ' VAL . 8.4 m -75.08 -11.3 60.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.472 -175.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -80.11 4.69 65.62 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.405 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -79.21 -16.64 56.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.144 0.497 . . . . 0.0 110.529 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' -9' ' ' SER . 30.5 m -96.32 156.32 37.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.555 176.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 106.01 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.676 2.251 . . . . 0.0 112.427 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -128.07 104.93 8.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.314 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.03 167.91 12.12 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.79 151.59 19.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.752 0.276 . . . . 0.0 110.725 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -85.71 -72.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.757 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.47 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt -83.04 115.85 22.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' HG ' HD21 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.597 ' SG ' HD13 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 -96.22 159.22 32.56 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 77.44 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.063 2.509 . . . . 0.0 113.508 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 10.21 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.385 0.674 . . . . 0.0 112.126 173.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.39 -57.76 0.99 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p -149.98 170.35 19.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD23 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD13 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG23 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 HG23 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.498 ' HB1' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.504 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.538 HD21 ' HG ' ' A' ' 4' ' ' LEU . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HG ' HG21 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.506 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.743 ' HB3' ' HB2' ' A' ' 95' ' ' ASP . 19.3 t30 -92.43 124.65 58.69 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.35 -23.99 40.68 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.781 2.321 . . . . 0.0 112.929 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -101.62 6.97 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.66 0.267 . . . . 0.0 111.125 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 12.7 t70 -81.22 144.25 53.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.16 -22.43 74.17 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.886 2.391 . . . . 0.0 113.283 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.3 p -115.21 116.18 27.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.459 ' CD2' HD21 ' A' ' 91' ' ' LEU . 66.7 t80 72.17 119.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.519 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -135.83 129.14 18.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.289 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.87 150.9 6.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.53 2.82 . . . . 0.0 112.955 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -46.46 130.81 14.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.412 2.742 . . . . 0.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -73.53 -32.73 64.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.419 -177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.15 70.54 2.0 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.883 -0.954 . . . . 0.0 111.931 178.118 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.66 7.9 81.0 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.4 m -91.48 157.03 17.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.461 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 34.7 p -154.34 151.53 29.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.651 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -127.17 98.67 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -75.38 118.68 18.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.629 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -87.31 163.82 16.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.469 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -59.94 -35.39 74.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.6 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -64.96 -20.83 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.207 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -82.64 -3.8 56.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.158 0.504 . . . . 0.0 110.117 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 26.3 p -130.13 159.42 36.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 68.4 m -150.71 143.4 24.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 80.79 56.62 3.06 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -173.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.74 -42.34 9.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.745 0.307 . . . . 0.0 110.999 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 18.1 m -100.07 117.78 62.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.233 0.539 . . . . 0.0 111.912 -175.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 5.0 Cg_exo -79.85 127.14 6.87 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.046 2.497 . . . . 0.0 111.01 173.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.85 125.63 40.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.795 0.331 . . . . 0.0 110.436 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -171.19 -163.06 24.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.1 t -157.36 125.72 5.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -123.7 154.97 38.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -177.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 63' ' ' ILE . 62.3 mmm -68.35 133.09 48.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.231 174.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' SG ' HD22 ' A' ' 47' ' ' LEU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.638 HD21 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -96.43 145.73 30.08 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -57.04 -18.59 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.883 2.388 . . . . 0.0 112.978 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 111.058 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.08 38.06 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.792 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -82.3 153.65 25.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD22 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.638 HG12 HD21 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 0' ' ' MET . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' SD ' ' A' ' 0' ' ' MET . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' HB3' HH22 ' A' ' 94' ' ' ARG . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.617 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.617 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 -111.66 147.0 35.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 16.1 Cg_exo -69.96 29.83 0.19 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.541 2.827 . . . . 0.0 114.247 -173.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.526 HH22 ' HB3' ' A' ' 72' ' ' ASP . 12.5 ptt180 -148.74 11.85 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.147 -0.345 . . . . 0.0 111.517 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.631 ' O ' ' HG3' ' A' ' 99' ' ' ARG . 7.4 t70 -70.76 136.35 85.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 173.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.76 -26.56 30.82 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.01 2.473 . . . . 0.0 113.578 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -33.43 19.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -104.16 20.35 18.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 95' ' ' ASP . 53.4 mtt180 -81.39 -46.95 1.1 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.712 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -45.94 125.57 8.43 Favored 'Trans proline' 0 C--N 1.362 1.258 0 C-N-CA 122.307 2.004 . . . . 0.0 112.571 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.51 -19.88 54.19 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.301 2.667 . . . . 0.0 113.049 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 p -89.14 8.66 28.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 111.42 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.9 23.85 0.91 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.518 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.365 -1.242 . . . . 0.0 111.646 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.671 0.272 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 166.41 163.41 20.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.209 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 34.4 t -81.01 128.35 33.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 0.0 110.501 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 13.6 m -87.58 -26.33 23.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.477 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -89.87 140.62 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.151 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -106.99 132.14 53.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -83.41 -34.79 25.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.209 -175.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -72.49 126.92 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.15 105.87 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -87.24 -46.03 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.9 p -130.4 97.65 4.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.223 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 43.3 t -97.03 145.04 26.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.352 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -85.14 -17.51 62.69 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 66.9 tp -113.05 117.0 30.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.318 -0.441 . . . . 0.0 109.912 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 59.6 t -115.84 120.9 34.97 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.573 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 97.67 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.586 2.19 . . . . 0.0 111.595 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.29 150.43 41.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.88 37.02 34.63 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.047 -174.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 2.4 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.94 0.496 . . . . 0.0 112.241 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -81.92 -25.11 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.198 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.497 ' HB2' HD11 ' A' ' 54' ' ' LEU . 47.9 mmm -150.7 136.54 18.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.055 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.521 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -78.53 128.21 78.24 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.81 111.59 0.78 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.002 2.468 . . . . 0.0 112.292 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 62.51 23.25 13.8 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.18 -116.39 2.37 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.227 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p -127.03 -179.57 4.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.523 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.48 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.854 ' HG ' HG12 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.854 HG12 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 HG11 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.506 HD12 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.794 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.699 ' HB3' ' HE2' ' A' ' 98' ' ' TYR . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.583 ' OD1' ' HB2' ' A' ' 95' ' ' ASP . 5.6 p30 -132.7 126.69 20.09 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.794 ' HD2' ' HB3' ' A' ' 73' ' ' GLN . 98.4 Cg_endo -84.3 -12.47 7.94 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.692 2.261 . . . . 0.0 112.914 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.552 ' HB2' ' HG3' ' A' ' 73' ' ' GLN . 57.2 ttt180 -75.89 -42.98 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.149 0.5 . . . . 0.0 110.649 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.583 ' HB2' ' OD1' ' A' ' 92' ' ' ASN . 21.4 m-20 -94.87 166.19 15.54 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.394 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.99 27.43 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.421 2.748 . . . . 0.0 114.5 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 95' ' ' ASP . 23.5 m -78.23 -38.99 41.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.976 0.417 . . . . 0.0 109.93 175.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.724 ' HB2' ' HA ' ' A' ' 93' ' ' PRO . 1.5 m-85 -94.57 -33.77 12.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.719 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 98' ' ' TYR . 56.5 ttt180 74.6 118.16 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.481 0 O-C-N 123.911 0.757 . . . . 0.0 110.22 -172.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.42 120.14 6.35 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.753 2.302 . . . . 0.0 112.59 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.49 147.09 57.43 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.872 2.381 . . . . 0.0 111.568 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 m -99.69 163.66 12.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.27 -162.85 16.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.836 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.49 -1.172 . . . . 0.0 111.618 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 148.55 -107.35 0.36 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.915 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 59.5 p -144.52 149.75 36.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.6 m -58.61 -48.05 82.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -94.79 115.77 27.91 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.76 80.85 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.367 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.26 -64.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.607 175.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -95.07 123.88 38.8 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -114.56 174.49 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 -174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . 0.609 ' HA ' HD13 ' A' ' -7' ' ' LEU . 9.8 m170 -110.08 171.93 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.899 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 43.8 t -167.5 166.08 14.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.383 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.7 t -72.47 -12.24 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.097 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -78.64 -26.45 58.87 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.471 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . 0.609 HD13 ' HA ' ' A' ' -11' ' ' HIS . 77.7 mt -84.37 100.91 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 61.1 t 68.38 89.96 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.993 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.06 -5.14 15.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.233 2.622 . . . . 0.0 112.36 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -67.36 -11.2 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.523 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -81.12 9.48 53.65 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.572 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.3 p -151.07 174.46 13.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 51.8 m80 62.35 98.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.276 0.56 . . . . 0.0 111.639 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 91.9 mmm -118.37 131.04 56.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.46 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG12 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.776 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -96.89 143.1 25.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.24 -25.19 29.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.825 2.35 . . . . 0.0 112.443 176.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.84 -35.31 70.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.432 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -12.78 10.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.729 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p -85.96 152.97 22.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' ' HB2' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.776 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.511 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.492 HD12 HG22 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.64 HG12 HD21 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.433 HG13 HG23 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.532 HD22 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.34 112.46 57.04 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.58 -19.11 60.33 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 123.001 2.467 . . . . 0.0 112.312 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -91.93 15.04 13.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.71 127.42 29.5 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.346 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.97 -18.41 35.31 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.424 2.75 . . . . 0.0 114.046 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -83.9 -18.06 38.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.157 0.503 . . . . 0.0 110.401 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -80.06 -37.99 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -136.96 97.48 11.0 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.56 172.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -87.91 161.94 7.49 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.962 2.442 . . . . 0.0 113.037 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.79 104.53 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.676 2.251 . . . . 0.0 111.323 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -73.66 113.0 10.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.09 175.87 47.71 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.802 -0.999 . . . . 0.0 111.594 179.034 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.021 0.439 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 163.06 -82.65 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -59.45 112.24 1.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.269 0.557 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 4.9 p -155.64 32.47 0.36 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.093 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -67.22 104.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.476 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -66.04 -45.21 82.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.912 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.75 106.3 18.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 111.542 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -92.75 128.78 38.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -85.53 19.98 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 -175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -148.54 141.41 24.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.388 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 39.3 m -67.36 119.38 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.6 m -79.16 27.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 81.72 -24.01 4.67 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.72 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.46 -52.01 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.71 89.24 43.99 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -91.12 -175.39 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.113 2.542 . . . . 0.0 112.179 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -78.64 76.99 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.813 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.13 -158.05 28.36 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.1 p -108.82 -11.54 15.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.613 0.207 . . . . 0.0 111.38 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 85.8 t60 70.68 8.12 6.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.223 0.535 . . . . 0.0 111.009 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.493 ' HB2' HD12 ' A' ' 54' ' ' LEU . 95.4 mmm -71.43 126.45 29.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.767 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HD3' HG22 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD12 HD12 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 32.3 m-80 -84.73 164.96 40.09 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 33' ' ' ASN . 88.4 Cg_exo -46.71 131.17 15.94 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.462 2.108 . . . . 0.0 112.57 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 86.94 -23.76 0.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.24 1.016 . . . . 0.0 112.799 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.45 -26.04 1.99 Allowed Glycine 0 CA--C 1.523 0.559 0 C-N-CA 119.001 -1.571 . . . . 0.0 115.676 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p -54.5 140.96 32.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.023 0.912 . . . . 0.0 111.924 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 47' ' ' LEU . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD22 HG12 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.522 HD12 HG23 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.726 HG12 HD22 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG12 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HD13 ' HE2' ' A' ' 0' ' ' MET . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.436 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.694 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 HG23 HD22 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' HB2' HG23 ' A' ' 74' ' ' THR . 53.1 t-20 -96.36 119.34 64.39 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.71 -19.23 64.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.862 2.375 . . . . 0.0 112.682 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -95.17 -37.71 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 30.2 t70 -137.22 82.86 28.5 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.064 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -84.89 142.81 9.12 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -63.96 -22.59 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -115.9 124.77 51.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 126.02 8.02 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.876 0.37 . . . . 0.0 110.372 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 57.5 Cg_endo -72.42 151.15 53.29 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 15.6 Cg_exo -68.75 169.3 17.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.809 2.339 . . . . 0.0 111.548 175.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.0 p -62.45 -39.16 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.002 0.43 . . . . 0.0 111.275 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.08 -0.3 51.22 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.451 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.497 -1.168 . . . . 0.0 111.4 -179.827 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 116.05 8.39 13.45 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.671 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.8 m -70.6 -2.96 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.418 . . . . 0.0 111.558 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 14.6 p -77.26 -14.26 59.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -86.45 14.16 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.472 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -91.46 -7.22 51.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.517 . . . . 0.0 109.801 173.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -140.6 141.48 35.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.232 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -72.8 107.84 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.212 0.53 . . . . 0.0 110.79 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -98.31 102.88 14.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.88 156.11 16.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.3 m -65.62 102.66 0.75 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 19.2 m -84.47 113.57 21.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.605 -175.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 129.43 38.29 0.34 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.878 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.05 106.39 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.942 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' -4' ' ' ARG . 43.3 t -89.13 113.02 54.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.58 31.37 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.19 2.593 . . . . 0.0 113.768 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' ARG . . . . . 0.443 ' HG2' HG11 ' A' ' -6' ' ' VAL . 43.7 mmt-85 -84.65 -21.82 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -82.55 59.94 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.971 -176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.5 t -142.42 -73.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -99.49 111.95 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.499 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.034 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 9.9 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.462 ' HE3' ' HA ' ' A' ' 45' ' ' ASP . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.744 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 -123.3 122.13 26.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.13 -31.64 90.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.017 2.478 . . . . 0.0 112.831 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -97.79 -44.51 6.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.277 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' C ' ' HG ' ' A' ' 37' ' ' SER . . . -99.73 29.44 12.04 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.228 -175.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.481 ' HG ' ' C ' ' A' ' 36' ' ' GLY . 12.1 p 53.0 -88.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.883 . . . . 0.0 112.599 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.744 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HB2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.496 ' HG2' HD21 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.444 HD12 HG23 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.613 HG12 HD22 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.514 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.0 t-20 -126.02 115.28 24.11 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 2.9 Cg_exo -76.41 -8.87 18.67 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.268 2.646 . . . . 0.0 113.885 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -73.8 -62.52 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.07 92.88 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.904 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -90.87 178.49 1.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.93 2.42 . . . . 0.0 112.128 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 m -70.85 -22.65 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.227 0.537 . . . . 0.0 110.16 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -79.0 85.4 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -108.61 149.49 39.49 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.785 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.6 111.23 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.381 2.054 . . . . 0.0 110.904 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.25 -30.48 93.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.068 2.512 . . . . 0.0 113.159 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -86.18 -2.59 58.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 111.331 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.2 -171.35 28.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.128 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.471 -1.183 . . . . 0.0 111.621 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HD1' ' HB ' ' A' ' 74' ' ' THR . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.603 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.777 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.646 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' GLU . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG13 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.625 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HB3' HD12 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' HD1' ' A' ' 2' ' ' PHE . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.532 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.51 HG22 HG21 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HG22 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.556 ' SD ' HG13 ' A' ' 68' ' ' VAL . 83.7 mmm . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.903 0.382 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ASP . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 48' ' ' THR . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 28' ' ' LEU . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG13 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' HE2' ' A' ' 42' ' ' MET . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 64' ' ' ALA . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 88' ' ' PHE . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.403 ' SD ' HD11 ' A' ' 54' ' ' LEU . 80.4 mtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.696 0.284 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 7' ' ' ALA . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 39' ' ' ASP . 9.2 p30 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD22 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 4' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 67' ' ' TYR . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 74' ' ' THR . 21.1 p-10 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 54' ' ' LEU . 82.2 mtp . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.556 0.217 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB2' HD12 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 42' ' ' MET . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' HD11 ' A' ' 26' ' ' LEU . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.733 0.778 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.596 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.421 ' HB2' HD12 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' SER . 23.0 t-20 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 69.0 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 41' ' ' ARG . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' H ' HG22 ' A' ' 48' ' ' THR . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.59 HG12 HD23 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 tmm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.561 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 63' ' ' ILE . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' CG ' HD11 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 48' ' ' THR . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HD2' HD21 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' HG12 ' A' ' 68' ' ' VAL . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' PRO . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.561 HD23 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 52.3 t30 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.556 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' A' ' 76' ' ' LEU . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' A' ' 63' ' ' ILE . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HG ' HG11 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.557 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD11 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.844 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' HG13 ' A' ' 52' ' ' ILE . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG21 HD12 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 63' ' ' ILE . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.525 ' HG3' HD22 ' A' ' 54' ' ' LEU . 92.1 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 1' ' ' MET . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 47.8 m-80 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . 22.6 t . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.524 HD13 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.456 ' CG ' HD11 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.585 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG12 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG12 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD23 ' HG ' ' A' ' 4' ' ' LEU . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' A' ' 61' ' ' ILE . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.54 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 120.834 0.349 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 39' ' ' ASP . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 90' ' ' PHE . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.535 HD12 HG21 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.535 HG21 HD12 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.408 HG23 ' HG ' ' A' ' 81' ' ' LEU . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 79' ' ' VAL . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.403 ' HZ ' ' HG2' ' A' ' 42' ' ' MET . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.86 ' HG3' HG13 ' A' ' 68' ' ' VAL . 13.2 tmm? . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.641 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.854 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.854 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 70' ' ' LEU . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 50' ' ' ASP . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 48' ' ' THR . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' A' ' 26' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.86 HG13 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 38' ' ' ILE . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.588 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.588 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.686 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.616 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.621 0.248 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HB2' HG23 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 4' ' ' LEU . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.486 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.53 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HD12 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.551 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.489 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' HG12 ' A' ' 62' ' ' VAL . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 HD12 ' A' ' 52' ' ' ILE . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.726 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.655 ' SD ' HG13 ' A' ' 68' ' ' VAL . 86.7 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD22 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CE1' HD23 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' HD22 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 56' ' ' SER . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.642 HG23 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HA ' HG23 ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.655 HG13 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 88' ' ' PHE . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.48 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HB3' HD13 ' A' ' 54' ' ' LEU . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' HG ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.603 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' H ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 2' ' ' PHE . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 88' ' ' PHE . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.514 ' HA ' HG22 ' A' ' 74' ' ' THR . 19.3 t30 . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.514 ' HG3' HD13 ' A' ' 63' ' ' ILE . 62.3 mmm . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 60' ' ' GLU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 61' ' ' ILE . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.628 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 54' ' ' LEU . 47.9 mmm . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.522 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.522 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.495 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.846 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 HG22 ' A' ' 61' ' ' ILE . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' ' 29' ' ' ALA . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD13 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' HD13 ' A' ' 54' ' ' LEU . 91.9 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.812 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD1' HD23 ' A' ' 71' ' ' LEU . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.812 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.831 ' HG ' HG11 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.517 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 0' ' ' MET . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 40' ' ' TYR . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD23 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.518 ' HB2' HD13 ' A' ' 54' ' ' LEU . 95.4 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.798 0.333 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HD3' HG23 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' ALA . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' A' ' 5' ' ' THR . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 17.4 m120 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.086 0.47 . . . . 0.0 111.924 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' ' 62' ' ' VAL . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.73 HG12 HD23 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG11 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' THR . 53.1 t-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB2' ' H ' ' A' ' 73' ' ' GLN . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' OE2' ' A' ' 22' ' ' GLU . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE2' ' HA2' ' A' ' 19' ' ' GLY . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HD12 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' H ' ' HB2' ' A' ' 1' ' ' MET . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -140.3 -170.43 12.03 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.175 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.7 m -71.81 -48.55 45.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.868 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.1 m -73.22 112.15 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -102.83 118.14 36.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.787 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -126.22 149.61 48.94 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -72.92 -36.99 67.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -76.6 116.44 17.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -78.48 -9.6 59.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 0.0 110.262 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -150.75 96.23 2.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.26 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.7 m -66.35 143.76 56.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.827 0.346 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 14.9 m -88.78 -31.63 18.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' GLY . . . . . 0.896 ' HA2' ' HG3' ' A' ' -4' ' ' ARG . . . 175.67 -125.14 1.04 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -7' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' -6' ' ' VAL . 38.1 tp 65.17 -80.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.255 0.622 . . . . 0.0 112.287 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.782 ' HB ' ' HD3' ' A' ' -5' ' ' PRO . 61.5 t -119.03 -59.12 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -174.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.782 ' HD3' ' HB ' ' A' ' -6' ' ' VAL . 50.1 Cg_exo -55.43 -32.33 81.54 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.591 2.194 . . . . 0.0 113.246 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -4' ' ' ARG . . . . . 0.896 ' HG3' ' HA2' ' A' ' -8' ' ' GLY . 12.6 ptp180 -139.67 165.21 27.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.362 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.4 -112.8 0.8 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.764 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 54' ' ' LEU . 67.0 m -94.05 155.8 16.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.105 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -71.49 -19.94 62.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.668 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 73.7 mtp -133.16 161.24 34.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.757 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HD1' ' HB ' ' A' ' 74' ' ' THR . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.603 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.777 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -75.09 137.6 72.49 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.77 99.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.008 2.472 . . . . 0.0 112.679 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 52.99 77.0 0.18 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.124 0.89 . . . . 0.0 110.568 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.53 -76.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.944 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' OD1' ' A' ' 95' ' ' ASP . 17.3 p -157.11 143.43 18.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.646 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' GLU . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG13 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.625 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HB3' HD12 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' HD1' ' A' ' 2' ' ' PHE . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.532 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.51 HG22 HG21 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HG22 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -101.69 123.4 44.24 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.89 -15.87 36.76 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.383 2.055 . . . . 0.0 111.676 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -74.27 -45.02 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.793 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.556 ' OD1' ' HA ' ' A' ' 37' ' ' SER . 13.4 t70 -109.01 99.85 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.89 113.35 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 123.115 2.543 . . . . 0.0 113.288 -172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -81.85 -31.55 31.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.526 0.679 . . . . 0.0 109.216 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -133.94 111.47 10.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.085 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -131.94 113.45 14.96 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.689 0.281 . . . . 0.0 110.925 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.86 162.62 42.01 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.701 2.267 . . . . 0.0 111.01 174.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.73 161.11 43.28 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.42 2.08 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -75.08 125.03 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.99 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.7 37.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.959 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.42 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.14 154.51 26.64 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 13.9 m -69.2 101.38 1.46 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.017 0.437 . . . . 0.0 110.724 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.8 m -70.8 99.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.826 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -71.41 -8.0 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.713 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -85.97 -5.87 59.15 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.884 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 71.84 -47.77 0.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.668 0.787 . . . . 0.0 112.466 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -58.76 128.06 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -74.99 -28.64 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.745 -169.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -73.56 -23.03 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.246 0.545 . . . . 0.0 109.86 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 22.1 m -105.22 48.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.662 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 3.0 p -66.18 101.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.866 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 161.42 -174.8 38.02 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.451 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.88 -54.68 4.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 59.8 t -111.02 117.08 50.8 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.954 174.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 1.7 Cg_endo -82.13 131.47 6.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.834 2.356 . . . . 0.0 112.812 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -88.14 98.94 11.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.51 65.1 0.33 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -167.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.9 m -65.86 149.83 49.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 112.225 -170.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -122.37 163.76 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.322 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.556 ' SD ' HG13 ' A' ' 68' ' ' VAL . 83.7 mmm -87.59 -47.39 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 -173.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -89.27 126.69 57.84 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.83 -18.92 23.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.803 2.336 . . . . 0.0 112.527 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -71.39 -29.09 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.501 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.62 -26.24 1.66 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 119.936 -1.126 . . . . 0.0 114.361 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -88.49 155.86 19.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.758 0.779 . . . . 0.0 111.789 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ASP . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 48' ' ' THR . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 28' ' ' LEU . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG13 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.1 m120 -102.92 125.53 35.16 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 13.0 Cg_exo -70.34 7.68 1.1 Allowed 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.181 2.587 . . . . 0.0 113.157 -176.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -121.94 -10.59 8.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.03 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 17.9 t70 -108.82 142.9 26.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.606 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 4.1 Cg_exo -76.87 16.54 0.94 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.315 2.677 . . . . 0.0 114.532 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.3 m -52.07 -44.78 64.47 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.237 0.541 . . . . 0.0 110.555 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -129.46 110.85 12.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 9.9 tpt180 -140.55 102.87 6.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.989 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.82 140.32 31.87 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.681 2.254 . . . . 0.0 111.282 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 104.5 0.37 Allowed 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.36 2.04 . . . . 0.0 111.873 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -97.98 144.0 27.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.159 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.46 40.82 1.89 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.948 -0.918 . . . . 0.0 111.493 179.643 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 39.3 ttm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -123.25 -41.11 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.2 p -95.07 18.77 11.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 2.2 p -82.55 179.32 7.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -63.81 -45.28 90.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -86.94 140.82 29.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 169.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -97.13 177.63 5.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.958 0.409 . . . . 0.0 111.311 -175.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -95.04 4.2 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.116 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.92 90.07 3.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.389 . . . . 0.0 111.189 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -118.67 -15.3 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.291 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 12.2 p -70.48 -31.93 69.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 5.0 p -64.45 -32.77 74.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.739 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -81.54 -34.11 26.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.158 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.81 -40.41 65.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 42.6 t -127.0 88.93 53.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.97 104.03 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.457 2.105 . . . . 0.0 112.077 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -72.34 116.84 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 122.36 29.86 1.26 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.428 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 m -87.77 -20.46 26.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -141.24 170.43 15.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt -138.8 126.63 22.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.671 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.27 155.08 37.19 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.26 -32.57 96.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.495 2.13 . . . . 0.0 112.305 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -99.36 -39.4 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 110.239 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -120.96 77.72 0.32 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.454 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -59.02 -11.51 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' HE2' ' A' ' 42' ' ' MET . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 64' ' ' ALA . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 88' ' ' PHE . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 m-20 -96.05 131.35 29.09 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 3.0 Cg_exo -76.46 -12.68 18.68 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.118 2.545 . . . . 0.0 112.625 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -96.53 -41.2 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 0.0 110.608 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . 5.6 m-20 -71.95 158.41 87.74 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.045 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 95' ' ' ASP . 1.3 Cg_endo -44.27 103.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.566 2.844 . . . . 0.0 113.13 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.02 145.52 24.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.919 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -114.31 110.53 20.07 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.269 0.557 . . . . 0.0 111.186 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . 46.3 ttm180 -63.7 -50.69 70.4 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.785 174.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 99' ' ' ARG . 72.6 Cg_endo -80.65 122.05 4.35 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.707 1.605 . . . . 0.0 111.753 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 3.1 Cg_exo -76.34 46.39 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.36 2.707 . . . . 0.0 112.716 -178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -122.38 156.17 34.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.23 87.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.602 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.905 -0.942 . . . . 0.0 110.846 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.942 0.401 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 87.09 21.06 51.3 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.795 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 m -69.31 -16.36 63.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.127 0.489 . . . . 0.0 110.783 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 3.4 p -86.93 -7.46 58.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.44 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.63 -35.49 72.96 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.825 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -104.63 111.23 23.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -86.16 93.27 8.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.487 0.66 . . . . 0.0 111.715 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -153.31 13.2 0.49 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -118.79 115.35 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.568 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -87.71 3.56 47.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 110.074 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 45.0 p -126.02 -169.78 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.472 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 10.6 m -71.97 -16.01 62.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.402 . . . . 0.0 110.996 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -178.25 -75.46 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.944 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -104.72 170.55 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.35 159.97 36.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.775 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.3 157.24 62.7 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.698 2.265 . . . . 0.0 111.959 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -75.38 -29.93 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.99 0.424 . . . . 0.0 110.28 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -99.91 134.04 11.53 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.599 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.8 m -84.51 94.57 8.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.526 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.24 106.79 3.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.245 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.403 ' SD ' HD11 ' A' ' 54' ' ' LEU . 80.4 mtp -90.66 170.22 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.676 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 7' ' ' ALA . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 9.2 p30 -104.28 142.39 24.52 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 27.5 Cg_exo -63.85 -18.52 64.25 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.442 2.761 . . . . 0.0 113.688 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.76 -38.55 86.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.088 0.471 . . . . 0.0 110.472 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -116.74 -91.42 1.62 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.508 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -174.93 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD22 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 4' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 67' ' ' TYR . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 74' ' ' THR . 21.1 p-10 -117.3 85.65 19.98 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 91' ' ' LEU . 7.5 Cg_exo -73.47 -4.16 14.95 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.763 2.308 . . . . 0.0 111.849 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -66.56 -32.37 73.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.742 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.57 122.65 69.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 167.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -37.3 89.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.288 3.325 . . . . 0.0 114.826 -170.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.5 p -144.73 131.81 20.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.012 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.601 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 86.7 m-85 57.55 -96.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.506 0.504 . . . . 0.0 109.929 -173.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.601 ' HD2' ' O ' ' A' ' 98' ' ' TYR . 16.7 mmm180 -140.62 130.01 13.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 45.1 Cg_exo -57.49 149.26 67.44 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.583 2.189 . . . . 0.0 111.801 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 25.6 Cg_exo -62.03 89.78 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.99 2.46 . . . . 0.0 112.406 -176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 m -89.57 49.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.665 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -143.49 28.6 2.05 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.965 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 CA-C-O 118.323 -1.265 . . . . 0.0 111.569 179.714 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -138.51 -164.0 9.77 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.278 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 24.5 m -93.96 125.74 38.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.2 m -154.3 170.88 20.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -76.36 -38.95 55.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.385 . . . . 0.0 110.698 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -84.77 -4.47 59.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.421 . . . . 0.0 110.668 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -113.98 113.01 24.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.371 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -103.61 130.26 51.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.227 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -97.33 148.98 22.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.86 161.13 36.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 30.3 t -112.9 121.81 45.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 17.3 m -95.89 10.4 37.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.315 0.578 . . . . 0.0 109.978 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -135.06 159.85 24.13 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.193 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -88.93 118.93 29.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 0.0 110.736 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' -5' ' ' PRO . 13.3 m -70.39 -31.23 2.15 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.276 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' -6' ' ' VAL . 54.9 Cg_endo -71.13 133.14 22.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.078 1.185 . . . . 0.0 110.794 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -74.22 -31.8 62.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.207 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.36 -62.86 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.173 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.3 m -144.63 162.15 37.37 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.817 -0.225 . . . . 0.0 110.562 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.65 -38.84 92.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.211 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 54' ' ' LEU . 82.2 mtp -131.99 167.83 18.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.587 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB2' HD12 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 42' ' ' MET . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -95.61 97.78 3.16 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -35.72 102.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.1 3.2 . . . . 0.0 113.749 -169.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 56.7 82.35 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.728 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 171.45 -53.89 0.18 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.944 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m -156.1 121.66 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' HD11 ' A' ' 26' ' ' LEU . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -117.13 115.06 38.56 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.11 -10.89 11.23 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 0.0 112.45 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -76.6 -53.78 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.215 0.531 . . . . 0.0 110.319 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -98.95 145.15 29.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.125 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 78.91 0.08 OUTLIER 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.768 2.312 . . . . 0.0 113.663 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 m -90.34 -54.5 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -115.69 99.76 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.778 170.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -98.23 154.03 37.83 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.651 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.91 136.64 77.78 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.653 2.235 . . . . 0.0 111.802 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.33 -168.36 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.001 2.468 . . . . 0.0 112.438 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 108.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.052 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.0 11.43 6.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.875 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.597 178.01 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.82 0.343 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 84.85 -38.81 2.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.354 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.1 p -58.27 -37.33 74.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -23.9 66.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 111.405 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -101.45 -9.22 21.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.146 0.498 . . . . 0.0 110.156 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -86.14 -40.54 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.638 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -105.33 116.64 32.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.552 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 160.19 14.69 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -95.35 -29.03 14.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.003 0.43 . . . . 0.0 110.293 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -131.55 143.35 50.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.854 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.8 m -83.05 173.85 11.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 45.2 t -122.49 149.22 44.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -99.46 135.5 12.18 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 31.3 tp -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.67 136.75 67.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.308 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.24 155.23 70.88 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.91 2.406 . . . . 0.0 111.847 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -76.93 -34.85 57.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.666 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 66.39 -104.19 1.01 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.609 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.0 t -149.14 179.94 7.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -88.7 -19.88 25.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.225 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm 69.09 99.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.099 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.596 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.421 ' HB2' HD12 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' SER . 23.0 t-20 -77.68 129.96 75.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 76.3 Cg_exo -48.72 93.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.845 3.03 . . . . 0.0 114.017 -173.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.59 22.84 3.21 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.981 -1.009 . . . . 0.0 113.164 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.3 -83.4 1.41 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 69.0 m -135.22 -146.1 0.24 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 41' ' ' ARG . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' H ' HG22 ' A' ' 48' ' ' THR . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.59 HG12 HD23 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.19 108.54 52.71 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.53 -12.6 36.24 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.944 2.43 . . . . 0.0 112.339 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -75.22 -14.81 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.268 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 16.4 t70 -75.96 148.43 81.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 9.7 Cg_endo -54.15 -16.22 9.19 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.944 2.429 . . . . 0.0 113.017 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.423 ' HB ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -125.97 150.84 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.254 -0.279 . . . . 0.0 110.349 177.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.55 -35.43 70.64 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 46.1 ttt180 -108.1 104.69 54.46 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.931 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 99' ' ' ARG . 5.1 Cg_endo -46.86 111.55 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.755 2.97 . . . . 0.0 112.858 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 97' ' ' THR . 61.0 Cg_endo -72.98 -22.19 19.94 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.706 2.27 . . . . 0.0 111.947 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -97.34 7.23 46.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.73 67.2 1.89 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.012 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.387 -1.229 . . . . 0.0 111.74 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 115.92 -46.69 1.12 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.126 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 t -77.38 124.57 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.1 m -85.26 5.33 30.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 69.66 25.28 5.24 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.844 0.457 . . . . 0.0 111.67 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -127.12 129.31 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -110.64 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -98.59 115.06 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -116.65 104.3 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.825 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -85.24 97.01 9.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.406 0.622 . . . . 0.0 109.749 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.1 m -56.7 144.98 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.965 -175.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 50.5 m -66.21 109.38 2.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 104.96 8.85 35.79 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.826 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.6 106.16 8.09 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 13.4 m -68.06 125.83 91.93 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.202 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 24.2 Cg_exo -64.26 155.38 65.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.054 2.503 . . . . 0.0 112.446 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -84.75 -45.03 12.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.008 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -149.91 34.68 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.759 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . 3.9 p -88.35 164.3 15.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.839 0.352 . . . . 0.0 110.973 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.28 15.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.071 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -158.77 163.71 36.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 63' ' ' ILE . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -96.09 107.15 33.05 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.84 -15.66 44.38 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.543 2.162 . . . . 0.0 111.455 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.91 -22.21 29.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.676 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.27 -113.17 0.99 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.019 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -118.87 172.11 7.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' CG ' HD11 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 48' ' ' THR . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HD2' HD21 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' HG12 ' A' ' 68' ' ' VAL . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' PRO . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD23 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.515 ' O ' ' HD2' ' A' ' 96' ' ' PRO . 52.3 t30 56.32 78.86 0.36 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.81 75.4 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.774 2.316 . . . . 0.0 111.328 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -153.82 -55.57 0.11 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.86 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.792 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 13.0 m-20 -99.12 -55.78 0.17 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.792 ' HD3' ' HB2' ' A' ' 95' ' ' ASP . 3.0 Cg_exo -76.34 118.39 4.91 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.134 1.889 . . . . 0.0 111.553 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 p -97.92 118.47 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -94.68 105.64 17.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -87.6 116.67 66.88 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -93.05 169.6 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.309 2.673 . . . . 0.0 111.94 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.85 -8.58 21.89 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 111.71 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -69.0 -20.19 64.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.471 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.56 114.26 6.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.318 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.607 -1.107 . . . . 0.0 111.471 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.67 86.26 1.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.647 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.5 p 47.88 73.87 0.19 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.432 0.693 . . . . 0.0 111.808 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.2 m -63.65 -40.19 96.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.875 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -81.45 100.67 9.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -82.35 142.23 32.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.484 -171.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -125.85 140.66 52.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -78.86 -33.32 45.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.423 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -101.52 131.33 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -64.15 114.39 4.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 15.4 m -92.21 126.01 37.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.428 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 29.5 t -151.29 156.2 40.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.804 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.87 -16.74 79.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -92.2 104.1 16.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 16.4 m 38.1 88.05 0.1 Allowed Pre-proline 0 N--CA 1.474 0.75 0 O-C-N 124.447 1.092 . . . . 0.0 113.516 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.26 -26.55 77.17 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.088 2.525 . . . . 0.0 112.242 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' -4' ' ' ARG . 0.0 OUTLIER -133.96 148.85 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.573 173.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.24 50.22 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.44 46.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.698 0.399 . . . . 0.0 111.37 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -153.46 -63.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.389 -0.194 . . . . 0.0 110.915 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 tpt -65.74 120.9 13.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.556 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' A' ' 76' ' ' LEU . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' A' ' 63' ' ' ILE . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -87.46 106.86 12.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -36.03 -63.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.589 3.526 . . . . 0.0 114.783 -167.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.46 6.53 22.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.704 0.288 . . . . 0.0 111.076 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -71.02 1.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.364 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -163.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HG ' HG11 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.557 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD11 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.844 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' HG13 ' A' ' 52' ' ' ILE . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG21 HD12 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 63' ' ' ILE . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.47 HD22 ' CZ ' ' A' ' 94' ' ' ARG . 32.8 p-10 -144.83 158.97 51.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.25 22.64 0.9 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.638 2.225 . . . . 0.0 112.624 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' CZ ' HD22 ' A' ' 92' ' ' ASN . 34.0 mtm105 -118.05 -55.04 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.943 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . 10.0 m-20 -92.13 167.24 15.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.914 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 95' ' ' ASP . 50.2 Cg_exo -54.68 117.95 4.54 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.473 2.115 . . . . 0.0 112.182 176.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 m -63.27 -40.39 97.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.333 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.29 127.63 44.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.209 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -139.22 99.54 8.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.546 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.0 159.48 33.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.95 2.433 . . . . 0.0 112.053 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.84 -51.19 11.33 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.226 2.617 . . . . 0.0 113.035 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 p -75.36 -72.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.42 -167.79 27.61 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.769 -178.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.792 0.33 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -76.74 77.17 1.48 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 24.5 m -58.66 110.49 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.158 0.504 . . . . 0.0 111.719 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 41.3 t -84.82 133.74 34.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.328 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -65.83 -42.32 90.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.712 0.291 . . . . 0.0 110.615 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -93.71 145.65 24.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.96 -52.08 7.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.766 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -116.87 135.73 53.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -108.4 156.46 19.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.72 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -144.49 92.22 2.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.72 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.5 m -79.22 141.22 37.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 67.9 m -106.82 152.03 24.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.732 0.301 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.33 43.77 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.512 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.3 153.2 28.58 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 26.0 t 60.33 82.42 0.23 Allowed Pre-proline 0 C--O 1.234 0.256 0 O-C-N 123.873 0.733 . . . . 0.0 110.696 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.16 22.72 0.9 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.653 2.235 . . . . 0.0 113.001 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -146.54 131.38 18.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.367 . . . . 0.0 111.008 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.36 159.99 20.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.699 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -85.94 174.86 8.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.52 -20.49 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.525 ' HG3' HD22 ' A' ' 54' ' ' LEU . 92.1 mmm -87.51 134.91 33.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.584 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 1' ' ' MET . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 47.8 m-80 -90.61 118.22 68.54 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 37.9 Cg_exo -58.74 -16.82 32.86 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.321 2.681 . . . . 0.0 113.061 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.95 -15.42 62.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.763 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.76 29.55 3.55 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.715 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.65 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 22.6 t -128.17 98.83 5.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.524 HD13 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.456 ' CG ' HD11 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.585 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG12 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG12 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD23 ' HG ' ' A' ' 4' ' ' LEU . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -72.25 122.87 88.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 31.6 Cg_exo -60.13 178.01 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.967 2.444 . . . . 0.0 112.335 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.65 ' HD3' ' HA ' ' A' ' 37' ' ' SER . 79.4 mtt85 -95.11 -2.09 50.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.94 -174.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.783 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 17.8 t70 -157.91 -59.7 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 2.2 Cg_endo -81.57 149.27 16.44 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.302 2.002 . . . . 0.0 112.582 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -82.89 139.94 33.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.229 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -63.86 -23.7 67.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.267 0.556 . . . . 0.0 109.746 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -101.14 117.26 62.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.367 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 47.5 Cg_endo -69.93 139.0 38.61 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.556 2.17 . . . . 0.0 112.074 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 39.0 Cg_exo -61.31 -36.92 76.72 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.662 2.241 . . . . 0.0 111.214 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 m -94.19 98.92 11.28 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.382 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -145.32 -133.28 2.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.082 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.702 -1.054 . . . . 0.0 112.017 -177.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.784 0.326 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.87 151.78 22.51 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 t -94.37 87.77 5.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.218 0.532 . . . . 0.0 110.216 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 16.9 m -100.1 -10.15 21.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.359 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -80.06 73.5 6.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.532 . . . . 0.0 110.921 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.17 103.55 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.795 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -126.7 95.91 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.266 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -71.07 -44.51 65.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -84.78 112.15 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.19 -34.87 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.165 0.507 . . . . 0.0 110.234 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 44.5 t -113.83 128.8 56.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.22 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 1.5 t -141.41 150.31 42.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.288 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -90.03 -137.43 6.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.977 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -76.7 -75.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.446 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 30.5 m -117.88 140.39 27.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.435 -175.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 3.9 Cg_endo -86.5 138.51 5.44 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.27 2.647 . . . . 0.0 111.546 175.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -87.47 -32.08 19.66 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 65.96 -118.5 11.42 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.149 -0.932 . . . . 0.0 114.099 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 45.7 m -69.57 108.18 3.72 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -113.42 34.13 4.71 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 167.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 ttt -49.07 130.35 18.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.693 -1.594 . . . . 0.0 113.334 -170.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' A' ' 61' ' ' ILE . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -91.82 157.61 41.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.08 -19.63 64.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.75 2.3 . . . . 0.0 111.963 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.09 -21.9 63.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.872 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.96 -14.33 52.49 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -74.92 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.416 -0.392 . . . . 0.0 111.068 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 39' ' ' ASP . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 90' ' ' PHE . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.535 HD12 HG21 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.535 HG21 HD12 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.408 HG23 ' HG ' ' A' ' 81' ' ' LEU . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 79' ' ' VAL . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.403 ' HZ ' ' HG2' ' A' ' 42' ' ' MET . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 -116.36 110.13 43.38 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -60.21 -22.71 71.42 Favored 'Trans proline' 0 N--CA 1.473 0.32 0 C-N-CA 123.555 2.837 . . . . 0.0 113.962 -171.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 0.9 OUTLIER -78.97 -26.31 43.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 110.674 -179.657 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 75.6 m-20 -98.42 148.39 34.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.638 -173.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 5.5 Cg_exo -79.33 92.65 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.885 2.39 . . . . 0.0 112.424 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.8 m -94.57 -37.65 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.47 0.652 . . . . 0.0 109.624 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.86 116.58 21.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.262 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' ' 104' ' ' GLY . 12.5 ttp180 -112.6 113.71 50.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.927 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.28 149.85 81.29 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.656 2.237 . . . . 0.0 110.789 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.32 -33.46 96.18 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 111.948 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -111.93 111.08 21.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.458 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.24 25.42 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.124 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 99' ' ' ARG . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.484 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -105.54 -43.0 1.64 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 14.2 m -137.05 105.1 5.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 82.0 p -64.36 166.1 8.7 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.178 0.513 . . . . 0.0 111.624 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.78 -17.02 62.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.639 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -86.84 -34.75 19.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.418 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -66.92 -34.23 77.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 109.909 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -68.37 128.3 36.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -77.5 67.75 3.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.8 0.81 . . . . 0.0 111.779 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -136.18 17.27 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.704 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 41.7 t -81.61 59.33 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.225 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 69.8 m -75.47 95.0 3.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.0 -99.04 2.57 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.045 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.69 -13.71 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.731 0.301 . . . . 0.0 111.122 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 17.8 m -66.59 136.01 94.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 37.2 Cg_exo -61.76 115.64 2.93 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.019 2.479 . . . . 0.0 112.151 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -79.1 -16.17 57.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.276 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.03 106.48 3.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.134 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.9 p -63.96 114.4 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.595 0.236 . . . . 0.0 110.543 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -71.13 -22.98 62.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.86 ' HG3' HG13 ' A' ' 68' ' ' VAL . 13.2 tmm? -137.55 132.09 32.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.641 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.854 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 -99.11 145.91 30.81 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -36.43 -55.79 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 124.459 3.439 . . . . 0.0 115.716 -170.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.29 83.97 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.252 -176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.73 49.75 6.38 Favored Glycine 0 C--N 1.32 -0.352 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.929 165.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.854 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m -152.5 159.3 43.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' ASP . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 50' ' ' ASP . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 48' ' ' THR . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' A' ' 26' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.86 HG13 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 38' ' ' ILE . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HH12 ' A' ' 94' ' ' ARG . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.588 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.588 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.686 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -123.41 128.26 25.3 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -2.71 12.96 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.666 2.244 . . . . 0.0 113.58 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.524 HH12 ' HB3' ' A' ' 72' ' ' ASP . 61.6 mtt180 -97.21 -38.38 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.84 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 29.4 t70 -109.62 104.66 55.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 176.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.613 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 1.7 Cg_endo -81.16 74.25 5.58 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.767 2.312 . . . . 0.0 110.621 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -52.41 -33.78 45.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.791 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -94.73 -0.93 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.613 ' O ' ' HB2' ' A' ' 96' ' ' PRO . 31.9 ttp180 -165.34 96.23 0.84 Allowed Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.414 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 175.05 1.83 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.873 2.382 . . . . 0.0 111.685 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.73 49.16 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.967 2.445 . . . . 0.0 112.318 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -163.43 152.34 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -149.97 -80.2 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.866 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.251 176.514 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -54.46 148.42 21.15 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.9 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 10.5 m -57.62 -57.59 12.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 111.14 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.2 p -101.64 135.18 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.985 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -99.94 122.96 43.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.568 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -68.0 -39.4 83.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 109.667 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -98.73 124.11 43.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.383 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -73.36 -48.98 29.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -116.58 140.41 49.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.898 0.38 . . . . 0.0 110.795 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -113.45 133.36 55.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.619 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m -92.99 34.89 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.314 0.578 . . . . 0.0 110.86 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.7 p -127.02 43.43 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.503 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -82.86 169.6 48.76 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.091 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.1 150.21 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 67.2 t 65.01 97.73 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.242 0 O-C-N 123.676 0.61 . . . . 0.0 110.803 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.96 158.55 34.49 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 111.913 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.76 -31.47 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.31 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . 93.38 8.15 61.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.564 -176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.5 p -76.04 33.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.245 0.545 . . . . 0.0 111.455 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' -3' ' ' GLY . 12.5 t-160 -122.31 -3.58 8.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.616 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm -151.15 95.37 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.39 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HB2' HG23 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 4' ' ' LEU . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -103.92 101.59 26.23 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.81 -21.57 64.33 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.376 2.718 . . . . 0.0 113.916 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.34 -11.99 41.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.112 0.482 . . . . 0.0 110.848 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.32 -85.4 0.26 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.382 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 31.0 p -163.72 -173.52 3.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 94' ' ' ARG . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.486 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.53 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HD12 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.551 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -170.21 115.42 0.48 Allowed Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' A' ' 98' ' ' TYR . 77.4 Cg_exo -47.94 119.2 3.65 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.447 2.098 . . . . 0.0 111.416 176.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 42.7 mtm180 -81.1 22.53 0.63 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.584 -170.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.826 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 38.2 t70 -171.05 -58.95 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.872 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.826 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 6.0 Cg_exo -79.41 -173.05 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.492 2.128 . . . . 0.0 112.317 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 m -99.35 157.93 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.975 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.514 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 76.9 t80 -112.84 149.15 33.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.505 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.68 93.77 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 O-C-N 123.854 0.721 . . . . 0.0 110.673 173.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -95.26 128.64 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.49 2.793 . . . . 0.0 112.498 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.19 -61.3 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.311 2.007 . . . . 0.0 112.007 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p -100.81 109.67 21.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.04 -113.64 1.15 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.939 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 118.362 -1.244 . . . . 0.0 111.647 -178.803 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -165.94 -111.25 0.24 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.0 p -69.87 141.47 53.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.716 0.293 . . . . 0.0 110.369 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.9 t -71.71 121.66 19.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.18 152.01 43.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.465 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.58 -38.43 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -134.7 143.21 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.673 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -84.92 132.22 34.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -55.95 -27.49 52.66 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -167.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -142.45 129.78 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.323 . . . . 0.0 110.444 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 13.1 m -75.72 139.33 41.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.679 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 4.7 m -63.19 -19.22 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -70.26 -17.14 73.86 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.219 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -91.62 66.19 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.46 111.4 59.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.505 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.0 -2.67 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.839 2.36 . . . . 0.0 112.179 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -78.58 -19.8 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.046 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -99.96 2.04 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 m 52.44 49.31 20.74 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 171.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -74.56 83.43 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.31 144.68 26.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.474 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.489 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.68 154.51 87.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.22 -24.05 48.58 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.797 2.331 . . . . 0.0 112.969 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.33 -0.27 49.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.365 . . . . 0.0 111.417 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.84 61.13 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.311 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -69.32 113.72 6.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' HG12 ' A' ' 62' ' ' VAL . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 HD12 ' A' ' 52' ' ' ILE . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.726 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 98' ' ' TYR . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 -140.64 150.86 61.72 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 4.2 Cg_exo -82.17 29.46 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.234 2.623 . . . . 0.0 111.477 175.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -107.09 -30.14 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.88 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.17 140.08 22.73 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.35 -11.65 1.24 Allowed 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.538 2.825 . . . . 0.0 114.592 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.9 m -61.52 -39.91 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.501 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' ' 91' ' ' LEU . 67.8 m-85 -122.53 108.61 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.31 0.576 . . . . 0.0 110.192 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 99' ' ' ARG . 19.0 mtp180 -102.01 123.42 43.67 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.57 -171.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.1 152.63 24.43 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.523 2.149 . . . . 0.0 111.48 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.95 -20.2 64.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.524 2.149 . . . . 0.0 112.071 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -95.23 3.1 54.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.46 -173.54 18.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.02 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.522 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -64.21 -39.51 97.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.479 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 p -128.89 105.26 8.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.902 0.382 . . . . 0.0 110.046 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.6 p -67.93 -28.57 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -89.73 100.55 13.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -72.17 116.1 12.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.43 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -65.51 -29.11 69.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.079 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -94.17 88.43 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 92.78 4.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.66 -170.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -100.2 157.53 16.51 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 171.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.7 p -75.24 10.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.8 p -111.82 131.28 55.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.244 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -74.71 -30.06 60.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.955 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.52 158.79 20.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.896 0.379 . . . . 0.0 110.666 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 24.8 m -89.81 139.8 27.76 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 8.3 Cg_exo -72.51 164.48 35.48 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.959 2.439 . . . . 0.0 112.306 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -99.67 141.44 32.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -73.46 144.23 33.98 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.302 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.1 m -81.18 170.68 15.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -99.28 -46.97 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.655 ' SD ' HG13 ' A' ' 68' ' ' VAL . 86.7 mmm -135.4 140.06 44.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.231 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD22 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.59 117.15 66.65 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -32.48 90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.889 3.726 . . . . 0.0 114.909 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 49.65 34.3 7.06 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.371 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.05 -65.64 0.32 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.927 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p -150.44 170.67 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CE1' HD23 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' HD22 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 56' ' ' SER . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.642 HG23 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HA ' HG23 ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.655 HG13 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 88' ' ' PHE . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -124.27 124.46 25.83 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.87 -10.54 27.2 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.761 2.307 . . . . 0.0 113.082 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 94' ' ' ARG . 60.6 mtt85 -90.62 8.01 36.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.482 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 17.8 t70 -147.86 151.42 38.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 68.1 Cg_exo -39.38 99.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.015 2.477 . . . . 0.0 112.98 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.27 146.09 25.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.293 -172.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -82.32 104.07 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 175.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -108.32 107.14 59.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.3 Cg_exo -69.63 130.21 19.1 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.951 2.434 . . . . 0.0 112.134 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 24.1 Cg_exo -64.82 -9.5 21.4 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.064 2.509 . . . . 0.0 112.026 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -71.62 -18.32 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.734 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.33 -78.91 0.38 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.201 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.13 -1.372 . . . . 0.0 111.327 -179.219 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.56 0.219 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -80.05 49.52 3.76 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.26 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.2 m -109.3 98.29 7.73 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 19.3 m -101.18 108.41 20.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -75.29 107.74 7.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -77.0 126.59 31.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -95.81 113.52 25.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -100.36 156.33 17.31 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -65.8 -40.65 92.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -98.66 99.68 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.161 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.7 m -77.88 161.61 27.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.951 -176.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' -6' ' ' VAL . 8.4 m -75.08 -11.3 60.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.472 -175.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -80.11 4.69 65.62 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.405 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -79.21 -16.64 56.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.144 0.497 . . . . 0.0 110.529 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' -9' ' ' SER . 30.5 m -96.32 156.32 37.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.555 176.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 106.01 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.676 2.251 . . . . 0.0 112.427 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -128.07 104.93 8.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.314 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.03 167.91 12.12 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.79 151.59 19.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.752 0.276 . . . . 0.0 110.725 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -85.71 -72.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.757 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.48 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt -83.04 115.85 22.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HB3' HD13 ' A' ' 54' ' ' LEU . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' HG ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.603 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 -96.22 159.22 32.56 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 77.44 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.063 2.509 . . . . 0.0 113.508 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 10.21 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.385 0.674 . . . . 0.0 112.126 173.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.39 -57.76 0.99 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p -149.98 170.35 19.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' H ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 2' ' ' PHE . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 88' ' ' PHE . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 95' ' ' ASP . 19.3 t30 -92.43 124.65 58.69 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.35 -23.99 40.68 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.781 2.321 . . . . 0.0 112.929 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -101.62 6.97 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.66 0.267 . . . . 0.0 111.125 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.753 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 12.7 t70 -81.22 144.25 53.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 36.8 Cg_exo -62.16 -22.43 74.17 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.886 2.391 . . . . 0.0 113.283 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.3 p -115.21 116.18 27.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 91' ' ' LEU . 66.7 t80 72.17 119.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.519 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -135.83 129.14 18.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.289 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.87 150.9 6.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.53 2.82 . . . . 0.0 112.955 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -46.46 130.81 14.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.412 2.742 . . . . 0.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -73.53 -32.73 64.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.419 -177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.15 70.54 2.0 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.883 -0.954 . . . . 0.0 111.931 178.118 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.66 7.9 81.0 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.4 m -91.48 157.03 17.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.461 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 34.7 p -154.34 151.53 29.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.651 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -127.17 98.67 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -75.38 118.68 18.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.629 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -87.31 163.82 16.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.469 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -59.94 -35.39 74.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.6 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -64.96 -20.83 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.207 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -82.64 -3.8 56.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.158 0.504 . . . . 0.0 110.117 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 26.3 p -130.13 159.42 36.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 68.4 m -150.71 143.4 24.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 80.79 56.62 3.06 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -173.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.74 -42.34 9.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.745 0.307 . . . . 0.0 110.999 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 18.1 m -100.07 117.78 62.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.233 0.539 . . . . 0.0 111.912 -175.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -5' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 5.0 Cg_exo -79.85 127.14 6.87 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.046 2.497 . . . . 0.0 111.01 173.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.85 125.63 40.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.795 0.331 . . . . 0.0 110.436 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -171.19 -163.06 24.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.1 t -157.36 125.72 5.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -123.7 154.97 38.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -177.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.514 ' HG3' HD13 ' A' ' 63' ' ' ILE . 62.3 mmm -68.35 133.09 48.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.231 174.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 60' ' ' GLU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -96.43 145.73 30.08 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -57.04 -18.59 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.883 2.388 . . . . 0.0 112.978 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 111.058 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.08 38.06 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.792 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -82.3 153.65 25.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 61' ' ' ILE . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' HH22 ' A' ' 94' ' ' ARG . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.628 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 -111.66 147.0 35.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 16.1 Cg_exo -69.96 29.83 0.19 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.541 2.827 . . . . 0.0 114.247 -173.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.548 HH22 ' HB3' ' A' ' 72' ' ' ASP . 12.5 ptt180 -148.74 11.85 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.147 -0.345 . . . . 0.0 111.517 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' O ' ' HG3' ' A' ' 99' ' ' ARG . 7.4 t70 -70.76 136.35 85.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 173.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.76 -26.56 30.82 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.01 2.473 . . . . 0.0 113.578 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -33.43 19.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -104.16 20.35 18.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 95' ' ' ASP . 53.4 mtt180 -81.39 -46.95 1.1 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.712 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 92.6 Cg_exo -45.94 125.57 8.43 Favored 'Trans proline' 0 C--N 1.362 1.258 0 C-N-CA 122.307 2.004 . . . . 0.0 112.571 176.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 32.1 Cg_exo -59.51 -19.88 54.19 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.301 2.667 . . . . 0.0 113.049 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 p -89.14 8.66 28.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 111.42 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.9 23.85 0.91 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.518 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.365 -1.242 . . . . 0.0 111.646 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.671 0.272 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 166.41 163.41 20.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.209 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 34.4 t -81.01 128.35 33.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 0.0 110.501 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 13.6 m -87.58 -26.33 23.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.477 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -89.87 140.62 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.151 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -106.99 132.14 53.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -83.41 -34.79 25.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.209 -175.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -72.49 126.92 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.15 105.87 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -87.24 -46.03 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.9 p -130.4 97.65 4.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.223 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 43.3 t -97.03 145.04 26.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.352 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -85.14 -17.51 62.69 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 66.9 tp -113.05 117.0 30.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.318 -0.441 . . . . 0.0 109.912 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 59.6 t -115.84 120.9 34.97 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.573 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 97.67 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.586 2.19 . . . . 0.0 111.595 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.29 150.43 41.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.88 37.02 34.63 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.047 -174.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 2.4 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.94 0.496 . . . . 0.0 112.241 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -81.92 -25.11 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.198 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 54' ' ' LEU . 47.9 mmm -150.7 136.54 18.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.055 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.522 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -78.53 128.21 78.24 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.81 111.59 0.78 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.002 2.468 . . . . 0.0 112.292 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 62.51 23.25 13.8 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.18 -116.39 2.37 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.227 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p -127.03 -179.57 4.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.522 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.495 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.846 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 HG22 ' A' ' 61' ' ' ILE . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' ' 29' ' ' ALA . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD13 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.813 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.716 ' HB3' ' HE2' ' A' ' 98' ' ' TYR . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.591 ' OD1' ' HB2' ' A' ' 95' ' ' ASP . 5.6 p30 -132.7 126.69 20.09 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.813 ' HD2' ' HB3' ' A' ' 73' ' ' GLN . 98.4 Cg_endo -84.3 -12.47 7.94 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.692 2.261 . . . . 0.0 112.914 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HB2' ' HG3' ' A' ' 73' ' ' GLN . 57.2 ttt180 -75.89 -42.98 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.149 0.5 . . . . 0.0 110.649 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.591 ' HB2' ' OD1' ' A' ' 92' ' ' ASN . 21.4 m-20 -94.87 166.19 15.54 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.394 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.99 27.43 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.421 2.748 . . . . 0.0 114.5 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 95' ' ' ASP . 23.5 m -78.23 -38.99 41.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.976 0.417 . . . . 0.0 109.93 175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.735 ' HB2' ' HA ' ' A' ' 93' ' ' PRO . 1.5 m-85 -94.57 -33.77 12.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.719 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 98' ' ' TYR . 56.5 ttt180 74.6 118.16 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.481 0 O-C-N 123.911 0.757 . . . . 0.0 110.22 -172.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.42 120.14 6.35 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.753 2.302 . . . . 0.0 112.59 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.49 147.09 57.43 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.872 2.381 . . . . 0.0 111.568 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 m -99.69 163.66 12.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.27 -162.85 16.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.836 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.49 -1.172 . . . . 0.0 111.618 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 148.55 -107.35 0.36 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.915 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 59.5 p -144.52 149.75 36.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.6 m -58.61 -48.05 82.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -94.79 115.77 27.91 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.76 80.85 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.367 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.26 -64.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.607 175.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -95.07 123.88 38.8 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -114.56 174.49 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 -174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -11' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' -7' ' ' LEU . 9.8 m170 -110.08 171.93 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.899 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 43.8 t -167.5 166.08 14.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.383 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.7 t -72.47 -12.24 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.097 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -78.64 -26.45 58.87 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.471 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' -11' ' ' HIS . 77.7 mt -84.37 100.91 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 61.1 t 68.38 89.96 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.993 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.06 -5.14 15.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.233 2.622 . . . . 0.0 112.36 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -67.36 -11.2 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.523 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -81.12 9.48 53.65 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.572 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.3 p -151.07 174.46 13.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 51.8 m80 62.35 98.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.276 0.56 . . . . 0.0 111.639 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' HD13 ' A' ' 54' ' ' LEU . 91.9 mmm -118.37 131.04 56.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 177.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.812 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -96.89 143.1 25.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.24 -25.19 29.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.825 2.35 . . . . 0.0 112.443 176.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.84 -35.31 70.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.432 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -12.78 10.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.729 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p -85.96 152.97 22.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD1' HD23 ' A' ' 71' ' ' LEU . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.812 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.831 ' HG ' HG11 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 0' ' ' MET . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 40' ' ' TYR . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD23 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.34 112.46 57.04 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.58 -19.11 60.33 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 123.001 2.467 . . . . 0.0 112.312 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -91.93 15.04 13.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 15.4 t70 -103.71 127.42 29.5 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.346 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 48.7 Cg_exo -57.97 -18.41 35.31 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.424 2.75 . . . . 0.0 114.046 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -83.9 -18.06 38.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.157 0.503 . . . . 0.0 110.401 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -80.06 -37.99 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -136.96 97.48 11.0 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.56 172.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 70.5 Cg_endo -87.91 161.94 7.49 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.962 2.442 . . . . 0.0 113.037 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 13.9 Cg_exo -69.79 104.53 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.676 2.251 . . . . 0.0 111.323 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -73.66 113.0 10.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.09 175.87 47.71 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.802 -0.999 . . . . 0.0 111.594 179.034 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.021 0.439 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 163.06 -82.65 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -59.45 112.24 1.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.269 0.557 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 4.9 p -155.64 32.47 0.36 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.093 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -67.22 104.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.476 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -66.04 -45.21 82.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.912 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.75 106.3 18.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 111.542 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -92.75 128.78 38.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -85.53 19.98 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 -175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -148.54 141.41 24.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.388 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 39.3 m -67.36 119.38 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.6 m -79.16 27.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 81.72 -24.01 4.67 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.72 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.46 -52.01 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.71 89.24 43.99 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -91.12 -175.39 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.113 2.542 . . . . 0.0 112.179 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -78.64 76.99 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.813 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.13 -158.05 28.36 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.1 p -108.82 -11.54 15.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.613 0.207 . . . . 0.0 111.38 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 85.8 t60 70.68 8.12 6.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.223 0.535 . . . . 0.0 111.009 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.518 ' HB2' HD13 ' A' ' 54' ' ' LEU . 95.4 mmm -71.43 126.45 29.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.767 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HD3' HG23 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' ALA . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' A' ' 5' ' ' THR . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 17.4 m120 -84.73 164.96 40.09 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 33' ' ' ASN . 88.4 Cg_exo -46.71 131.17 15.94 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.462 2.108 . . . . 0.0 112.57 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 86.94 -23.76 0.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.24 1.016 . . . . 0.0 112.799 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.45 -26.04 1.99 Allowed Glycine 0 CA--C 1.523 0.559 0 C-N-CA 119.001 -1.571 . . . . 0.0 115.676 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p -54.5 140.96 32.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.023 0.912 . . . . 0.0 111.924 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' ' 62' ' ' VAL . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.73 HG12 HD23 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG11 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' THR . 53.1 t-20 -96.36 119.34 64.39 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.71 -19.23 64.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.862 2.375 . . . . 0.0 112.682 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -95.17 -37.71 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 30.2 t70 -137.22 82.86 28.5 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.064 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -84.89 142.81 9.12 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -63.96 -22.59 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -115.9 124.77 51.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 126.02 8.02 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.876 0.37 . . . . 0.0 110.372 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 57.5 Cg_endo -72.42 151.15 53.29 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 15.6 Cg_exo -68.75 169.3 17.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.809 2.339 . . . . 0.0 111.548 175.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.0 p -62.45 -39.16 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.002 0.43 . . . . 0.0 111.275 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.08 -0.3 51.22 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.451 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.497 -1.168 . . . . 0.0 111.4 -179.827 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 116.05 8.39 13.45 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.671 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.8 m -70.6 -2.96 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.418 . . . . 0.0 111.558 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 14.6 p -77.26 -14.26 59.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -86.45 14.16 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.472 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -91.46 -7.22 51.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.517 . . . . 0.0 109.801 173.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -140.6 141.48 35.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.232 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -72.8 107.84 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.212 0.53 . . . . 0.0 110.79 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -98.31 102.88 14.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.88 156.11 16.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.3 m -65.62 102.66 0.75 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 19.2 m -84.47 113.57 21.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.605 -175.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 129.43 38.29 0.34 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.878 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.05 106.39 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.942 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' VAL . . . . . 0.461 HG12 ' HG2' ' A' ' -4' ' ' ARG . 43.3 t -89.13 113.02 54.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.58 31.37 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.19 2.593 . . . . 0.0 113.768 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' ARG . . . . . 0.461 ' HG2' HG12 ' A' ' -6' ' ' VAL . 43.7 mmt-85 -84.65 -21.82 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -82.55 59.94 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.971 -176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.5 t -142.42 -73.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -99.49 111.95 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.034 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB2' ' H ' ' A' ' 73' ' ' GLN . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' OE2' ' A' ' 22' ' ' GLU . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE2' ' HA2' ' A' ' 19' ' ' GLY . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 -123.3 122.13 26.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.13 -31.64 90.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.017 2.478 . . . . 0.0 112.831 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -97.79 -44.51 6.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.277 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.73 29.44 12.04 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.228 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.1 p 53.0 -88.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.883 . . . . 0.0 112.599 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HD12 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' H ' ' HB2' ' A' ' 1' ' ' MET . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.0 t-20 -126.02 115.28 24.11 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 2.9 Cg_exo -76.41 -8.87 18.67 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.268 2.646 . . . . 0.0 113.885 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -73.8 -62.52 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.07 92.88 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.904 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -90.87 178.49 1.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.93 2.42 . . . . 0.0 112.128 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 m -70.85 -22.65 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.227 0.537 . . . . 0.0 110.16 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -79.0 85.4 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -108.61 149.49 39.49 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.785 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.9 Cg_exo -69.6 111.23 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.381 2.054 . . . . 0.0 110.904 172.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 32.5 Cg_exo -59.25 -30.48 93.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.068 2.512 . . . . 0.0 113.159 -174.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -86.18 -2.59 58.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 111.331 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.2 -171.35 28.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.128 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.471 -1.183 . . . . 0.0 111.621 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HD1' ' HB ' ' A' ' 74' ' ' THR . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.603 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.777 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.646 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' GLU . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG13 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.625 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HB3' HD12 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' HD1' ' A' ' 2' ' ' PHE . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.532 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.51 HG22 HG21 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HG22 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.556 ' SD ' HG13 ' A' ' 68' ' ' VAL . 83.7 mmm . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.903 0.382 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ASP . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 48' ' ' THR . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 28' ' ' LEU . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG13 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.573 ' N ' HD22 ' A' ' 33' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' HE2' ' A' ' 42' ' ' MET . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 64' ' ' ALA . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 88' ' ' PHE . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.403 ' SD ' HD11 ' A' ' 54' ' ' LEU . 80.4 mtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.696 0.284 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 7' ' ' ALA . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 39' ' ' ASP . 9.2 p30 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD22 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 4' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 67' ' ' TYR . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 74' ' ' THR . 21.1 p-10 . . . . . 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 54' ' ' LEU . 82.2 mtp . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.556 0.217 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB2' HD12 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 42' ' ' MET . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' HD11 ' A' ' 26' ' ' LEU . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.733 0.778 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.596 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.421 ' HB2' HD12 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' SER . 23.0 t-20 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 69.0 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 41' ' ' ARG . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' H ' HG22 ' A' ' 48' ' ' THR . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.59 HG12 HD23 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 tmm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.561 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 63' ' ' ILE . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' CG ' HD11 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 48' ' ' THR . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HD2' HD21 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' HG12 ' A' ' 68' ' ' VAL . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' PRO . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.561 HD23 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 52.3 t30 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.556 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' A' ' 76' ' ' LEU . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' A' ' 63' ' ' ILE . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HG ' HG11 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.557 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD11 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.844 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' HG13 ' A' ' 52' ' ' ILE . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG21 HD12 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 63' ' ' ILE . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.525 ' HG3' HD22 ' A' ' 54' ' ' LEU . 92.1 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 1' ' ' MET . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 47.8 m-80 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . 22.6 t . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.524 HD13 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.456 ' CG ' HD11 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.585 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG12 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG12 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD23 ' HG ' ' A' ' 4' ' ' LEU . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' A' ' 61' ' ' ILE . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.54 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.42 HD21 ' HB2' ' A' ' 39' ' ' ASP . 50.5 m-80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 120.834 0.349 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 39' ' ' ASP . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 90' ' ' PHE . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.535 HD12 HG21 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.535 HG21 HD12 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.408 HG23 ' HG ' ' A' ' 81' ' ' LEU . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 79' ' ' VAL . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.403 ' HZ ' ' HG2' ' A' ' 42' ' ' MET . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.86 ' HG3' HG13 ' A' ' 68' ' ' VAL . 13.2 tmm? . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.641 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.854 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.854 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 70' ' ' LEU . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 50' ' ' ASP . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 48' ' ' THR . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' A' ' 26' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.86 HG13 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 38' ' ' ILE . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.588 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.588 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.686 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.616 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.621 0.248 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HB2' HG23 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 4' ' ' LEU . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.486 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.53 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HD12 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.551 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.489 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' HG12 ' A' ' 62' ' ' VAL . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 HD12 ' A' ' 52' ' ' ILE . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.726 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.489 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.655 ' SD ' HG13 ' A' ' 68' ' ' VAL . 86.7 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD22 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CE1' HD23 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' HD22 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 56' ' ' SER . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.642 HG23 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HA ' HG23 ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.655 HG13 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 88' ' ' PHE . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.48 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HB3' HD13 ' A' ' 54' ' ' LEU . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' HG ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.603 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' H ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 2' ' ' PHE . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 88' ' ' PHE . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.514 ' HA ' HG22 ' A' ' 74' ' ' THR . 19.3 t30 . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.514 ' HG3' HD13 ' A' ' 63' ' ' ILE . 62.3 mmm . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 60' ' ' GLU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 61' ' ' ILE . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.628 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 54' ' ' LEU . 47.9 mmm . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.522 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.522 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.495 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.846 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 HG22 ' A' ' 61' ' ' ILE . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' ' 29' ' ' ALA . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD13 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' HD13 ' A' ' 54' ' ' LEU . 91.9 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 HE22 ' HB2' ' A' ' 86' ' ' PHE . 52.2 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.812 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD1' HD23 ' A' ' 71' ' ' LEU . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.812 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.831 ' HG ' HG11 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.517 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 0' ' ' MET . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 40' ' ' TYR . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD23 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.406 ' HB2' HE22 ' A' ' 11' ' ' GLN . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.518 ' HB2' HD13 ' A' ' 54' ' ' LEU . 95.4 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.798 0.333 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HD3' HG23 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' ALA . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' A' ' 5' ' ' THR . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' A' ' 39' ' ' ASP . 32.3 m-80 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.086 0.47 . . . . 0.0 111.924 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' HD21 ' A' ' 33' ' ' ASN . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' ' 62' ' ' VAL . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.73 HG12 HD23 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG11 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' THR . 53.1 t-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB2' ' H ' ' A' ' 73' ' ' GLN . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 9.9 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' OE2' ' A' ' 22' ' ' GLU . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE2' ' HA2' ' A' ' 19' ' ' GLY . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HD12 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' H ' ' HB2' ' A' ' 1' ' ' MET . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -140.3 -170.43 12.03 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.175 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.7 m -71.81 -48.55 45.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.868 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.1 m -73.22 112.15 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -102.83 118.14 36.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.787 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -126.22 149.61 48.94 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -72.92 -36.99 67.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -76.6 116.44 17.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -78.48 -9.6 59.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 0.0 110.262 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -150.75 96.23 2.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.26 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.7 m -66.35 143.76 56.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.827 0.346 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 14.9 m -88.78 -31.63 18.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . 0.896 ' HA2' ' HG3' ' A' ' -4' ' ' ARG . . . 175.67 -125.14 1.04 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' -6' ' ' VAL . 38.1 tp 65.17 -80.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.255 0.622 . . . . 0.0 112.287 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.782 ' HB ' ' HD3' ' A' ' -5' ' ' PRO . 61.5 t -119.03 -59.12 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -174.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.782 ' HD3' ' HB ' ' A' ' -6' ' ' VAL . 50.1 Cg_exo -55.43 -32.33 81.54 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.591 2.194 . . . . 0.0 113.246 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . 0.896 ' HG3' ' HA2' ' A' ' -8' ' ' GLY . 12.6 ptp180 -139.67 165.21 27.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.362 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.4 -112.8 0.8 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.764 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 54' ' ' LEU . 67.0 m -94.05 155.8 16.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.105 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -71.49 -19.94 62.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.668 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 73.7 mtp -133.16 161.24 34.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.757 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -87.16 86.78 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HD1' ' HB ' ' A' ' 74' ' ' THR . 59.6 t80 -125.96 107.53 10.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.836 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 77.7 mttt -88.91 97.95 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 76' ' ' LEU . 8.2 tt -93.86 103.76 15.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 172.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -63.32 143.61 97.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.793 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.92 -26.77 59.93 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.099 2.533 . . . . 0.0 112.582 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.77 -46.22 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.45 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.71 67.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.35 72.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.291 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.301 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -68.48 -41.35 80.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 109.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 59' ' ' VAL . 53.4 t -67.88 -43.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.228 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.55 -37.45 86.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.14 -39.52 94.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.452 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.39 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.538 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -15.47 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -82.43 -29.45 30.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.136 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -61.18 -48.82 79.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 164.14 9.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.543 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.59 4.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.603 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 31.8 p -85.33 15.78 4.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.12 -65.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.061 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.05 36.42 3.72 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.003 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 89.2 mtp -110.57 155.58 22.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 62' ' ' VAL . 32.5 t -100.67 142.25 32.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 61' ' ' ILE . 29.5 tp -76.76 125.43 29.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.0 110.145 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 27' ' ' ARG . 41.0 ttt180 -121.43 145.78 47.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -176.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 63' ' ' ILE . 82.0 mt -111.56 138.24 48.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.044 0.449 . . . . 0.0 110.794 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.36 50.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.132 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.23 111.63 23.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.609 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.96 82.24 0.3 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.777 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 54.4 ttt180 -80.94 129.11 34.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.162 -175.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -75.09 137.6 72.49 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.77 99.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.008 2.472 . . . . 0.0 112.679 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 52.99 77.0 0.18 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.124 0.89 . . . . 0.0 110.568 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.53 -76.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.944 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' OD1' ' A' ' 95' ' ' ASP . 17.3 p -157.11 143.43 18.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 22.2 mt -87.86 115.44 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.25 121.22 32.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -99.03 138.39 36.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -172.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -128.07 144.33 51.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.3 ttm -122.36 137.35 54.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.8 159.05 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.823 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -80.23 142.17 34.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.988 0.394 . . . . 0.0 110.424 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -142.78 -169.18 2.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -81.74 142.53 32.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.627 0.251 . . . . 0.0 110.484 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.15 100.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.134 0.492 . . . . 0.0 109.796 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 23.2 m -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.173 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 47.2 mt-10 -87.91 -21.27 25.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.226 0.536 . . . . 0.0 110.455 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.49 -0.05 44.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.759 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.646 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 8.8 t70 -100.4 155.5 17.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 66.0 mt -74.56 103.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.409 0.624 . . . . 0.0 110.358 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' GLU . 80.4 mtp180 -84.89 131.54 34.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.001 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.6 mt -123.67 154.22 39.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.967 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 m -131.16 113.61 14.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.018 0.437 . . . . 0.0 110.554 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.4 m -92.25 -161.94 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.228 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.48 -43.57 68.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.808 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.48 17.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.373 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 12' ' ' VAL . 59.3 t -132.54 142.44 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.06 134.72 46.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 26.0 mm -115.18 141.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.692 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG13 ' SG ' ' A' ' 25' ' ' CYS . 2.9 m -126.75 114.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 172.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.625 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 78.5 mt -123.89 103.38 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.786 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . . . -51.48 149.45 7.81 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.535 -174.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -11.18 10.95 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.51 2.807 . . . . 0.0 112.922 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -88.71 -41.66 12.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.195 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HB3' HD12 ' A' ' 71' ' ' LEU . 65.6 m-85 -76.29 -30.76 57.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.379 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 p -54.79 -24.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -59.14 -22.03 60.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.511 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 38' ' ' ILE . 86.1 mt -129.87 4.5 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.348 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 67' ' ' TYR . 56.6 mt -118.59 13.93 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.23 156.4 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.914 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 67.56 26.49 8.09 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.723 0.639 . . . . 0.0 110.958 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' HD1' ' A' ' 2' ' ' PHE . 57.2 m -87.53 115.34 24.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 0.0 111.21 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.9 m -101.68 102.54 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.532 HD23 ' HG ' ' A' ' 4' ' ' LEU . 49.5 tp -89.69 111.26 22.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.782 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -112.24 167.18 10.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.259 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -118.29 90.23 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 110.707 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.51 HG22 HG21 ' A' ' 89' ' ' ILE . 19.4 m -130.18 153.96 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.891 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.55 98.0 9.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.316 0.579 . . . . 0.0 109.807 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.67 -28.03 68.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.009 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 44.0 mt-10 -115.89 145.97 35.93 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.083 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.69 113.64 1.41 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.796 2.331 . . . . 0.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.36 42.47 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.897 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 11.1 tp60 -99.87 96.83 7.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.453 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -103.31 135.47 44.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.3 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.01 110.24 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HG22 ' A' ' 79' ' ' VAL . 13.8 tt -108.1 118.07 54.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.861 0.839 . . . . 0.0 110.663 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -96.97 99.86 11.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.993 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 79.3 mt -82.11 84.99 6.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.401 0.62 . . . . 0.0 110.171 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -101.69 123.4 44.24 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.457 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.89 -15.87 36.76 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.383 2.055 . . . . 0.0 111.676 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -74.27 -45.02 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.793 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.556 ' OD1' ' HA ' ' A' ' 37' ' ' SER . 13.4 t70 -109.01 99.85 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.89 113.35 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 123.115 2.543 . . . . 0.0 113.288 -172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -81.85 -31.55 31.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.526 0.679 . . . . 0.0 109.216 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -133.94 111.47 10.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.085 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -131.94 113.45 14.96 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.689 0.281 . . . . 0.0 110.925 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.86 162.62 42.01 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.701 2.267 . . . . 0.0 111.01 174.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.73 161.11 43.28 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.42 2.08 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -75.08 125.03 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.99 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.7 37.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.959 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.42 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.14 154.51 26.64 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 13.9 m -69.2 101.38 1.46 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.017 0.437 . . . . 0.0 110.724 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 18.8 m -70.8 99.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.826 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -71.41 -8.0 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.713 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -85.97 -5.87 59.15 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.884 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 71.84 -47.77 0.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.668 0.787 . . . . 0.0 112.466 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -58.76 128.06 35.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -74.99 -28.64 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.745 -169.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -73.56 -23.03 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.246 0.545 . . . . 0.0 109.86 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 22.1 m -105.22 48.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.662 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 3.0 p -66.18 101.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.866 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 161.42 -174.8 38.02 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.451 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.88 -54.68 4.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 59.8 t -111.02 117.08 50.8 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.954 174.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 1.7 Cg_endo -82.13 131.47 6.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.834 2.356 . . . . 0.0 112.812 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -88.14 98.94 11.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.51 65.1 0.33 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -167.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.9 m -65.86 149.83 49.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 112.225 -170.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -122.37 163.76 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.322 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.556 ' SD ' HG13 ' A' ' 68' ' ' VAL . 83.7 mmm -87.59 -47.39 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.683 0.278 . . . . 0.0 111.428 -173.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm 59.07 32.51 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.536 0.684 . . . . 0.0 109.635 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -80.2 111.14 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.284 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 75' ' ' THR . 87.6 tttt -94.23 91.09 6.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.256 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' A' ' 76' ' ' LEU . 5.3 tt -93.43 114.82 27.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 p -77.42 151.59 80.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.708 0.289 . . . . 0.0 111.405 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.72 -28.58 67.17 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.106 2.537 . . . . 0.0 112.621 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.19 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.512 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.2 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.052 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 43.6 tt0 -64.06 -40.63 96.69 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.226 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -67.67 -38.73 84.14 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.699 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.73 -42.55 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.235 0.54 . . . . 0.0 109.945 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.58 -36.51 82.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.591 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 68.3 tttt -61.13 -44.46 97.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.044 -175.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.27 73.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -81.06 -45.76 16.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.48 -39.82 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.871 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -80.31 6.5 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.84 18.7 59.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.749 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.82 -73.35 1.28 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.899 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 p -108.4 29.57 7.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 43.6 tt0 -62.15 117.31 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.07 -7.68 41.27 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.9 mmm -97.49 147.21 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.698 -0.295 . . . . 0.0 110.832 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 47' ' ' LEU . 69.0 m -98.02 156.68 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.314 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 61' ' ' ILE . 50.8 tp -90.59 122.62 33.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.659 ' HD3' HG23 ' A' ' 62' ' ' VAL . 9.0 tpp180 -104.98 126.8 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HG2' ' A' ' 42' ' ' MET . 59.0 mt -100.06 110.71 23.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.615 0.245 . . . . 0.0 110.384 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.49 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.469 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 140.03 37.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -143.67 -156.34 6.76 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -151.89 140.94 21.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.556 0.678 . . . . 0.0 111.878 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -89.27 126.69 57.84 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 171.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.83 -18.92 23.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.803 2.336 . . . . 0.0 112.527 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -71.39 -29.09 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.501 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.62 -26.24 1.66 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 119.936 -1.126 . . . . 0.0 114.361 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -88.49 155.86 19.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.758 0.779 . . . . 0.0 111.789 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.54 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.186 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.74 131.72 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.328 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.13 103.39 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -104.36 104.81 14.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.152 0.501 . . . . 0.0 110.062 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 28' ' ' LEU . 63.5 mtp -108.88 109.18 20.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.596 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.45 26.18 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.193 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 90.9 m-85 -91.5 126.35 36.56 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 7.7 t70 -145.4 -166.29 2.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 16.6 t70 -73.35 144.83 46.35 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.144 0.578 . . . . 0.0 111.098 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 25' ' ' CYS . 5.1 tt -84.86 92.7 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ASP . 25.9 m -84.95 127.25 34.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.328 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.33 -23.95 63.85 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.559 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 48' ' ' THR . 39.0 t70 -73.56 -27.72 61.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.467 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.62 155.31 40.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.994 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.23 125.16 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.86 103.66 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.947 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.85 106.11 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.119 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 m -89.99 94.18 9.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 t -90.92 86.27 6.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.449 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 71.04 -56.7 0.62 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.123 0.969 . . . . 0.0 111.46 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.1 -28.86 0.11 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.581 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.61 129.89 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 110.651 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.55 117.86 30.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 0.0 110.008 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 26' ' ' LEU . 69.5 mt -114.61 143.68 23.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.897 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' ARG . 13.0 m -117.26 124.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.03 0.443 . . . . 0.0 110.155 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 28' ' ' LEU . 53.7 mt -127.85 117.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.028 -176.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.12 150.7 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.25 -34.55 49.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.339 2.693 . . . . 0.0 113.289 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.35 -32.59 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.194 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -86.15 -31.35 21.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG13 ' SD ' ' A' ' 0' ' ' MET . 95.2 t -52.36 -45.12 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.879 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -70.98 -1.56 12.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.69 17.13 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.478 0.18 . . . . 0.0 111.303 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.6 mt -131.05 14.09 5.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 0' ' ' MET . 4.1 p-10 -81.2 146.36 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.396 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 66.41 20.64 10.94 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.319 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.9 m -85.19 106.7 16.82 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 111.032 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 86.4 m -91.77 113.15 25.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.769 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' A' ' 4' ' ' LEU . 56.5 tp -102.0 111.79 24.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.0 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -121.57 152.17 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 86' ' ' PHE . 27.9 t80 -114.1 96.49 5.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.851 -176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.4 -175.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.381 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 13.3 pt-20 -117.85 105.79 12.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.231 0.539 . . . . 0.0 110.717 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.08 -39.24 94.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.241 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.99 144.11 31.43 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.828 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.26 106.27 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.465 2.11 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.72 1.23 49.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.687 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 7.3 tt0 -119.09 98.11 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.748 0.274 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 83.7 m-85 -83.0 132.36 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.948 0.404 . . . . 0.0 110.372 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -151.18 148.05 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -75.41 128.08 34.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.518 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.7 pt -110.22 136.31 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.417 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -107.79 102.26 11.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.846 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 83.9 mt -89.17 80.61 6.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.407 0.622 . . . . 0.0 110.465 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.1 m120 -102.92 125.53 35.16 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.09 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 13.0 Cg_exo -70.34 7.68 1.1 Allowed 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.181 2.587 . . . . 0.0 113.157 -176.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -121.94 -10.59 8.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.03 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 17.9 t70 -108.82 142.9 26.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.606 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 4.1 Cg_exo -76.87 16.54 0.94 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.315 2.677 . . . . 0.0 114.532 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.3 m -52.07 -44.78 64.47 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.237 0.541 . . . . 0.0 110.555 173.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -129.46 110.85 12.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 9.9 tpt180 -140.55 102.87 6.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.989 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.82 140.32 31.87 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.681 2.254 . . . . 0.0 111.282 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 104.5 0.37 Allowed 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.36 2.04 . . . . 0.0 111.873 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -97.98 144.0 27.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.159 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.46 40.82 1.89 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.948 -0.918 . . . . 0.0 111.493 179.643 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 39.3 ttm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -123.25 -41.11 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.2 p -95.07 18.77 11.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 2.2 p -82.55 179.32 7.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -63.81 -45.28 90.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -86.94 140.82 29.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 169.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -97.13 177.63 5.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.958 0.409 . . . . 0.0 111.311 -175.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -95.04 4.2 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.116 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.92 90.07 3.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.389 . . . . 0.0 111.189 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -118.67 -15.3 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.291 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 12.2 p -70.48 -31.93 69.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 5.0 p -64.45 -32.77 74.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.739 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -81.54 -34.11 26.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.158 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.81 -40.41 65.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 42.6 t -127.0 88.93 53.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.97 104.03 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.457 2.105 . . . . 0.0 112.077 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -72.34 116.84 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 122.36 29.86 1.26 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.428 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 m -87.77 -20.46 26.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -141.24 170.43 15.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.3 tpt -138.8 126.63 22.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.671 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtt -96.13 83.54 3.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 111.32 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' A' ' 54' ' ' LEU . 65.6 t80 -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' HG23 ' A' ' 75' ' ' THR . 65.0 tttp -98.76 101.37 12.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 76' ' ' LEU . 6.6 tt -93.79 116.64 29.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -71.72 144.01 87.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.418 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.67 -31.45 87.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.837 2.358 . . . . 0.0 112.036 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.61 95.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -32.91 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.051 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -70.64 -26.34 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.48 -31.7 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -65.87 -42.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.456 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.88 -34.17 77.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.174 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -62.43 -38.77 91.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.252 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.92 90.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.39 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.478 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -59.1 -37.48 77.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.871 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.95 -15.75 63.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.94 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 164.26 38.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.692 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.92 -51.32 4.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.84 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 17.0 p -90.69 -2.76 57.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 111.783 -176.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -73.47 131.71 42.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -11.54 70.36 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.129 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 84.9 mtp -87.04 162.2 17.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.85 0.357 . . . . 0.0 110.229 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -105.85 147.7 28.4 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.95 121.24 27.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 62' ' ' VAL . 18.9 tpp180 -100.69 124.69 46.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -101.28 127.13 48.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -124.6 145.23 49.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.783 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' ASP . . . -141.7 126.68 18.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.358 178.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.62 161.72 24.3 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.9 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -96.72 115.89 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.573 HD22 ' N ' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -103.27 155.08 37.19 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.26 -32.57 96.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.495 2.13 . . . . 0.0 112.305 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -99.36 -39.4 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 110.239 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -120.96 77.72 0.32 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.454 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -59.02 -11.51 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.7 94.5 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 33.3 t70 -117.99 134.79 54.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -110.0 133.44 53.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.431 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 99.5 mtt180 -130.6 127.99 40.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.157 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' HE2' ' A' ' 42' ' ' MET . 44.9 mtp -121.54 113.59 20.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.69 160.76 24.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.512 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -90.7 127.88 36.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -140.47 -164.09 1.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -102.26 160.38 14.58 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 tt -89.96 112.3 23.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.147 0.499 . . . . 0.0 111.124 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -94.19 130.82 40.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.599 172.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.32 -35.83 61.17 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -170.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -19.25 32.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.633 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' HA ' ' A' ' 64' ' ' ALA . 26.1 t70 -70.74 144.38 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 70.0 mt -57.95 109.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.695 0.76 . . . . 0.0 111.74 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -90.11 133.01 35.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.769 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 2' ' ' PHE . 57.6 tp -131.87 100.5 5.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.94 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -85.57 107.63 17.58 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.099 0.476 . . . . 0.0 110.518 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.2 m -76.75 -175.23 3.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.565 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.83 -31.78 70.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.656 0.265 . . . . 0.0 111.445 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 24.8 0.99 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.738 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.89 128.45 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.779 0.289 . . . . 0.0 110.605 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -90.73 115.57 27.92 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.99 143.23 30.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HD3' ' A' ' 27' ' ' ARG . 5.2 m -122.62 129.22 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.793 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' ' 28' ' ' LEU . 35.1 mt -130.57 129.2 64.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -176.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -73.03 141.68 81.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.05 -31.38 27.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.293 2.662 . . . . 0.0 112.824 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.71 82.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.088 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -84.77 -20.51 30.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.555 -170.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 52' ' ' ILE . 84.5 t -56.12 -27.41 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.472 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -55.78 -39.49 71.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.576 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 89.4 mt -106.31 9.09 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.606 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.76 5.57 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.7 139.85 30.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 72.2 8.61 5.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.116 0.966 . . . . 0.0 111.219 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.8 m -78.96 121.35 24.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 110.732 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 2.8 m -102.24 126.47 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 88' ' ' PHE . 41.3 tp -110.85 116.68 31.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -139.86 160.11 40.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER -112.36 133.12 54.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 110.637 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -143.39 157.8 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.008 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -87.32 87.32 7.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 0.0 110.081 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.38 -34.88 76.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.085 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.77 128.65 23.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.16 115.03 1.51 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.263 2.642 . . . . 0.0 112.886 -174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.45 -17.51 55.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.71 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.19 100.45 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.251 0.548 . . . . 0.0 111.234 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 76.1 m-85 -77.93 118.32 20.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.659 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.79 148.97 33.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 76' ' ' LEU . 99.4 m-85 -81.54 126.99 32.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.37 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.51 139.56 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.196 0.522 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -100.88 103.82 15.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.45 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 78.2 mt -83.99 97.09 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.365 0.602 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 m-20 -96.05 131.35 29.09 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.077 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 3.0 Cg_exo -76.46 -12.68 18.68 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.118 2.545 . . . . 0.0 112.625 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -96.53 -41.2 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 0.0 110.608 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . 5.6 m-20 -71.95 158.41 87.74 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.045 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 95' ' ' ASP . 1.3 Cg_endo -44.27 103.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.566 2.844 . . . . 0.0 113.13 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.02 145.52 24.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.919 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -114.31 110.53 20.07 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.269 0.557 . . . . 0.0 111.186 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . 46.3 ttm180 -63.7 -50.69 70.4 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.785 174.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 99' ' ' ARG . 72.6 Cg_endo -80.65 122.05 4.35 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.707 1.605 . . . . 0.0 111.753 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 3.1 Cg_exo -76.34 46.39 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.36 2.707 . . . . 0.0 112.716 -178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -122.38 156.17 34.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.23 87.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.602 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.905 -0.942 . . . . 0.0 110.846 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.942 0.401 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 87.09 21.06 51.3 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.795 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 m -69.31 -16.36 63.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.127 0.489 . . . . 0.0 110.783 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 3.4 p -86.93 -7.46 58.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.44 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.63 -35.49 72.96 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.825 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -104.63 111.23 23.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -86.16 93.27 8.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.487 0.66 . . . . 0.0 111.715 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -153.31 13.2 0.49 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -118.79 115.35 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.568 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -87.71 3.56 47.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 110.074 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 45.0 p -126.02 -169.78 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.472 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 10.6 m -71.97 -16.01 62.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.402 . . . . 0.0 110.996 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -178.25 -75.46 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.944 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -104.72 170.55 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.35 159.97 36.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.775 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.3 157.24 62.7 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.698 2.265 . . . . 0.0 111.959 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -75.38 -29.93 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.99 0.424 . . . . 0.0 110.28 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -99.91 134.04 11.53 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.599 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.8 m -84.51 94.57 8.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.526 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.24 106.79 3.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.245 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.403 ' SD ' HD11 ' A' ' 54' ' ' LEU . 80.4 mtp -90.66 170.22 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.676 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.25 8.95 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' THR . 72.1 t80 -71.47 100.15 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -94.47 110.9 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -87.27 102.2 14.26 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 169.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 7' ' ' ALA . 7.2 m -54.64 131.57 64.53 Favored Pre-proline 0 C--N 1.331 -0.211 0 O-C-N 123.156 0.285 . . . . 0.0 110.48 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.73 -23.5 15.73 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.071 2.514 . . . . 0.0 112.652 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.554 . . . . 0.0 109.976 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.63 21.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.244 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.53 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.856 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -31.3 71.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.19 -42.86 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.42 -42.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 110.016 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.56 -35.45 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.432 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.1 tttt -67.01 -36.14 81.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.64 95.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.065 0.46 . . . . 0.0 110.419 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.22 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.136 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.047 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.6 mt-30 -63.34 -28.61 70.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.31 -26.45 9.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.501 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.36 67.64 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.418 -0.42 . . . . 0.0 113.214 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -105.3 21.02 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.586 -0.361 . . . . 0.0 111.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.29 110.69 5.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.71 -8.41 32.03 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.76 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' PHE . 93.3 mmm -93.77 126.23 38.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -89.92 146.82 24.12 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' MET . 54.6 tp -84.25 104.61 14.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 48.0 ttm-85 -100.28 122.49 43.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 63' ' ' ILE . 86.0 mt -92.98 138.16 31.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.216 0.531 . . . . 0.0 111.363 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.78 158.07 42.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.107 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.31 132.87 22.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.48 -172.82 13.51 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -135.4 98.89 4.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.262 0.553 . . . . 0.0 110.55 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 9.2 p30 -104.28 142.39 24.52 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.419 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 27.5 Cg_exo -63.85 -18.52 64.25 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.442 2.761 . . . . 0.0 113.688 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.76 -38.55 86.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.088 0.471 . . . . 0.0 110.472 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -116.74 -91.42 1.62 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.508 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -174.93 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD22 ' A' ' 70' ' ' LEU . 73.4 mt -131.47 128.63 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.731 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 1.9 p30 -103.06 148.27 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.21 0.529 . . . . 0.0 110.77 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -115.56 106.56 14.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.502 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -103.84 128.79 51.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.136 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.4 mtp -106.51 109.04 20.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.381 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.87 138.44 13.97 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.68 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 24' ' ' MET . 96.7 m-85 -87.04 119.6 27.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -145.3 -164.25 1.9 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -84.58 169.79 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.072 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 60' ' ' GLU . 6.6 tt -94.56 115.5 27.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 m -105.21 123.95 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.904 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.19 -27.47 65.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.68 -31.24 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.789 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.48 156.59 38.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.163 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.2 121.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.554 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -85.62 121.5 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.462 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 71.8 mt -125.4 100.71 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.063 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 m -91.96 118.45 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.768 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.9 p -89.67 -149.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.545 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.55 -48.77 76.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.065 0.459 . . . . 0.0 110.539 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.25 8.48 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.791 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -114.36 117.2 54.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 122.623 -0.34 . . . . 0.0 110.572 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.0 tp10 -82.75 115.75 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 4' ' ' LEU . 53.0 mt -106.13 134.85 46.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 m -121.26 126.59 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.329 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG12 ' HB2' ' A' ' 28' ' ' LEU . 61.0 mt -118.33 118.4 57.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -66.62 138.6 95.59 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 56.9 Cg_exo -52.99 -20.7 14.03 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.243 2.629 . . . . 0.0 113.003 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.68 -43.33 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.052 0.454 . . . . 0.0 111.078 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 37.0 m-85 -102.47 -17.98 15.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.13 -167.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.0 -29.42 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.352 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -66.15 -12.75 57.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.966 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 38' ' ' ILE . 81.9 mt -120.28 -11.92 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.553 -177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 67' ' ' TYR . 93.6 mt -95.5 -15.35 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -73.0 150.2 42.64 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.537 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 64.63 21.71 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.124 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 92' ' ' ASN . 52.7 m -103.4 127.02 50.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.354 . . . . 0.0 110.674 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 19.0 m -95.84 126.5 41.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 4' ' ' LEU . 58.1 tp -106.67 120.63 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.024 0.44 . . . . 0.0 110.43 178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.64 164.25 30.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.493 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 25.5 p90 -116.14 138.23 51.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.89 164.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.979 0.418 . . . . 0.0 110.518 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -98.82 91.46 5.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.95 -29.31 67.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -138.64 122.01 11.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.415 171.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.71 113.27 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.093 2.528 . . . . 0.0 112.57 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.76 -42.71 1.85 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.76 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -92.27 98.51 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.093 0.473 . . . . 0.0 109.728 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.85 133.0 40.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -131.32 126.17 34.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.37 138.65 41.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.5 pt -127.44 147.27 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.022 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 76' ' ' LEU . 97.1 m-85 -106.66 109.69 21.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.169 0.509 . . . . 0.0 110.423 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 85.7 mt -92.14 94.88 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.572 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 74' ' ' THR . 21.1 p-10 -117.3 85.65 19.98 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.149 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 91' ' ' LEU . 7.5 Cg_exo -73.47 -4.16 14.95 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.763 2.308 . . . . 0.0 111.849 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -66.56 -32.37 73.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.742 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.57 122.65 69.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 167.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -37.3 89.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.288 3.325 . . . . 0.0 114.826 -170.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.5 p -144.73 131.81 20.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.012 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.601 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 86.7 m-85 57.55 -96.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.506 0.504 . . . . 0.0 109.929 -173.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.601 ' HD2' ' O ' ' A' ' 98' ' ' TYR . 16.7 mmm180 -140.62 130.01 13.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 45.1 Cg_exo -57.49 149.26 67.44 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.583 2.189 . . . . 0.0 111.801 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 25.6 Cg_exo -62.03 89.78 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.99 2.46 . . . . 0.0 112.406 -176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 m -89.57 49.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.665 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -143.49 28.6 2.05 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.965 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 CA-C-O 118.323 -1.265 . . . . 0.0 111.569 179.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -138.51 -164.0 9.77 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.278 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . 0.63 ' HA ' ' HE1' ' A' ' -12' ' ' HIS . 24.5 m -93.96 125.74 38.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.2 m -154.3 170.88 20.25 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -76.36 -38.95 55.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.907 0.385 . . . . 0.0 110.698 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -84.77 -4.47 59.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.421 . . . . 0.0 110.668 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -113.98 113.01 24.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.371 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -103.61 130.26 51.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.227 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . 0.63 ' HE1' ' HA ' ' A' ' -18' ' ' SER . 38.0 m80 -97.33 148.98 22.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.86 161.13 36.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 30.3 t -112.9 121.81 45.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 17.3 m -95.89 10.4 37.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.315 0.578 . . . . 0.0 109.978 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -135.06 159.85 24.13 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.193 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -88.93 118.93 29.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 0.0 110.736 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' -5' ' ' PRO . 13.3 m -70.39 -31.23 2.15 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.276 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' -6' ' ' VAL . 54.9 Cg_endo -71.13 133.14 22.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.078 1.185 . . . . 0.0 110.794 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -74.22 -31.8 62.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.207 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.36 -62.86 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.173 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.3 m -144.63 162.15 37.37 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.817 -0.225 . . . . 0.0 110.562 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.65 -38.84 92.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.211 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 54' ' ' LEU . 82.2 mtp -131.99 167.83 18.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.587 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm -106.37 10.22 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.437 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -65.59 124.52 22.57 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HB2' HG23 ' A' ' 75' ' ' THR . 50.7 mttp -118.24 114.96 23.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 118.53 36.95 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -66.8 139.92 96.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.479 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.24 -27.51 66.72 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.852 2.368 . . . . 0.0 112.079 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.39 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.462 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.0 64.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.3 73.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.941 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.01 -41.39 99.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.522 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -67.33 -39.9 85.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.453 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.53 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.183 0.516 . . . . 0.0 109.921 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 tp -60.61 -40.26 91.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.491 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 80.5 tttt -67.72 -38.08 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.813 -178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.92 89.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.591 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -71.24 -37.11 72.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.37 -24.59 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.792 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 99.4 mt-30 -66.56 -20.82 66.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 177.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.72 161.29 10.94 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.006 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.78 -61.15 4.78 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.622 -0.323 . . . . 0.0 112.941 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 44' ' ' PHE . 36.7 p -101.29 20.1 16.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 27.5 tt0 -63.81 -51.95 62.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.025 0.441 . . . . 0.0 111.478 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.87 -2.76 80.92 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.448 -176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.1 mtp -84.8 152.95 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB2' HD12 ' A' ' 47' ' ' LEU . 35.1 t -92.44 150.54 20.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 42' ' ' MET . 41.2 tp -76.71 118.02 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.158 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HE ' ' HB3' ' A' ' 45' ' ' ASP . 2.3 ttp180 -118.13 134.8 54.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.509 . . . . 0.0 109.661 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HB2' HD13 ' A' ' 71' ' ' LEU . 79.6 mt -108.71 138.92 44.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.74 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.14 149.69 30.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.965 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.37 127.66 33.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.906 0.384 . . . . 0.0 110.418 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.55 173.43 18.12 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -140.04 137.65 34.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.125 0.488 . . . . 0.0 112.133 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -95.61 97.78 3.16 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 159.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -35.72 102.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.1 3.2 . . . . 0.0 113.749 -169.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 56.7 82.35 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.728 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 171.45 -53.89 0.18 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.944 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.1 m -156.1 121.66 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -91.69 141.43 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.44 139.03 46.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' HE1' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m-85 -128.94 114.27 16.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttt-85 -110.43 135.65 50.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.591 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' HD11 ' A' ' 26' ' ' LEU . 32.2 ttm -107.14 134.37 50.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.956 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.7 177.94 42.93 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.627 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 93.5 m-85 -107.72 126.98 53.27 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HE ' ' A' ' 27' ' ' ARG . 7.0 t70 -140.47 -171.2 3.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -173.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.66 121.8 23.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -75.22 105.85 6.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.9 p -99.25 172.62 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.25 -6.03 57.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.497 0.665 . . . . 0.0 110.171 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 65' ' ' PRO . 7.1 m-20 -90.38 -13.61 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.318 -176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 28.3 m-20 -82.8 135.78 34.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 68' ' ' VAL . 49.1 mt -76.97 131.45 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 173.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 53' ' ' ARG . 26.6 mtt180 -100.31 114.93 28.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 -170.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.1 mt -113.0 168.93 9.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.934 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -145.68 114.05 6.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -67.36 -55.89 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.294 0.568 . . . . 0.0 110.645 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 174.71 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.394 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.62 -11.65 3.99 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.88 132.31 67.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 110.655 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.43 138.9 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 50.7 mt -125.09 118.72 53.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.431 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 ' HG ' ' A' ' 47' ' ' LEU . 12.3 m -109.93 127.67 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.013 0.435 . . . . 0.0 110.276 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mt -135.97 121.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.967 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -64.0 145.67 97.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.377 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 50' ' ' ASP . 82.1 Cg_exo -47.31 -36.6 23.14 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.784 2.989 . . . . 0.0 113.651 -174.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.59 -49.27 62.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.129 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.17 -24.56 27.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.454 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 52' ' ' ILE . 75.4 t -56.2 -34.23 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.278 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 m -53.39 -40.75 65.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.796 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . 96.0 mt -96.19 -32.97 12.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.513 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 28' ' ' LEU . 43.1 mt -84.92 45.71 1.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 24.2 t0 -135.05 149.07 50.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 24.3 tp60 74.9 -17.3 0.5 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.641 0.777 . . . . 0.0 111.305 -176.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -76.89 144.75 38.72 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.274 0.559 . . . . 0.0 111.594 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' HD12 ' A' ' 91' ' ' LEU . 38.9 m -113.55 132.12 55.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.55 122.49 47.85 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.535 0.522 . . . . 0.0 110.271 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -146.31 152.9 39.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -101.6 123.3 45.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.058 0.456 . . . . 0.0 109.832 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.31 146.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.241 0.543 . . . . 0.0 111.039 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -86.13 96.86 10.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.807 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.03 -33.68 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.71 131.49 17.1 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.834 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.9 110.75 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.425 2.75 . . . . 0.0 113.341 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.57 -26.33 9.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.337 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -113.45 109.13 18.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.436 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -88.81 119.16 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.681 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -111.81 131.9 55.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.328 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.88 121.34 23.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 pt -108.38 142.85 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.185 0.516 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -113.59 110.72 20.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.234 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 75' ' ' THR . 97.3 mt -69.72 87.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.506 0.67 . . . . 0.0 109.458 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -117.13 115.06 38.56 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.775 -172.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.11 -10.89 11.23 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 0.0 112.45 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -76.6 -53.78 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.215 0.531 . . . . 0.0 110.319 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -98.95 145.15 29.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.125 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 78.91 0.08 OUTLIER 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.768 2.312 . . . . 0.0 113.663 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 m -90.34 -54.5 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -115.69 99.76 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.778 170.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -98.23 154.03 37.83 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.651 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.91 136.64 77.78 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.653 2.235 . . . . 0.0 111.802 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.33 -168.36 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.001 2.468 . . . . 0.0 112.438 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 108.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.052 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.0 11.43 6.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.875 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.597 178.01 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.82 0.343 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 84.85 -38.81 2.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.354 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 7.1 p -58.27 -37.33 74.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 20.1 m -66.81 -23.9 66.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 111.405 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -101.45 -9.22 21.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.146 0.498 . . . . 0.0 110.156 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -86.14 -40.54 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.638 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -105.33 116.64 32.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.552 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 160.19 14.69 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -95.35 -29.03 14.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.003 0.43 . . . . 0.0 110.293 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -131.55 143.35 50.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.854 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.8 m -83.05 173.85 11.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 45.2 t -122.49 149.22 44.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -99.46 135.5 12.18 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 31.3 tp -91.84 137.32 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.67 136.75 67.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.308 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.24 155.23 70.88 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.91 2.406 . . . . 0.0 111.847 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -76.93 -34.85 57.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.666 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 66.39 -104.19 1.01 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.609 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.0 t -149.14 179.94 7.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -88.7 -19.88 25.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.225 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 68' ' ' VAL . 74.5 mmm 69.09 99.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.099 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 88.4 mtp -115.86 39.25 3.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.34 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -74.39 103.5 4.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -107.65 123.8 49.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.258 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.1 tt -113.89 124.95 53.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 p -62.81 130.1 93.58 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.48 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.69 -38.21 45.62 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.364 2.71 . . . . 0.0 113.033 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.02 86.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.007 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -70.95 -35.87 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.339 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.57 95.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.31 -31.18 70.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.56 -42.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.074 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' ALA . 91.5 t -63.69 -39.87 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.057 0.456 . . . . 0.0 110.16 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' HE3' ' A' ' 17' ' ' LYS . 54.9 tp -61.36 -34.35 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.394 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 76.4 tttt -64.75 -40.41 95.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.189 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.92 78.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.717 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.37 88.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.39 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.596 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 92.0 mttt -65.74 -47.29 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.198 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.27 -51.41 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.739 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.6 -6.2 86.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.94 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.05 16.68 75.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.009 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 p -88.36 20.45 3.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.811 0.338 . . . . 0.0 111.351 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.78 -29.07 68.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.2 -9.07 87.25 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.685 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -103.34 176.8 5.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.421 ' HB2' HD12 ' A' ' 47' ' ' LEU . 13.7 t -122.84 159.64 27.73 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.325 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 HG12 ' A' ' 61' ' ' ILE . 37.9 tp -85.89 101.49 12.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.812 0.339 . . . . 0.0 110.445 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 51.6 ttp180 -99.69 127.41 45.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 42' ' ' MET . 61.7 mt -92.64 139.33 30.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.071 0.462 . . . . 0.0 111.128 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.06 48.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.015 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.69 45.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.792 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 133.86 4.72 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 32' ' ' ARG . 22.7 ttt-85 -68.39 123.38 20.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.024 0.412 . . . . 0.0 110.195 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' SER . 23.0 t-20 -77.68 129.96 75.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 76.3 Cg_exo -48.72 93.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.845 3.03 . . . . 0.0 114.017 -173.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.59 22.84 3.21 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.981 -1.009 . . . . 0.0 113.164 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.3 -83.4 1.41 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 69.0 m -135.22 -146.1 0.24 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mt -132.13 132.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -90.88 132.7 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.349 . . . . 0.0 110.389 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -127.24 135.02 50.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.095 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 41' ' ' ARG . 34.5 mtm180 -130.75 147.68 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 175.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 26' ' ' LEU . 69.0 mtm -107.23 121.29 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.122 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.04 122.85 3.45 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.15 -1.024 . . . . 0.0 112.939 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -68.13 112.23 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -146.01 -165.17 2.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.617 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.51 156.58 34.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.179 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.4 tt -110.53 104.82 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 3.2 m -96.32 137.94 34.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.16 -3.86 50.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' H ' HG22 ' A' ' 48' ' ' THR . 16.5 t70 -79.7 -26.95 40.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.556 172.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 1.3 m-20 -74.49 155.11 38.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.769 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.47 119.87 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HG12 ' A' ' 62' ' ' VAL . 24.0 mtp180 -86.27 113.55 22.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.35 121.72 45.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.035 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 m -102.68 106.58 17.25 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.3 p -89.8 -164.62 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.222 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.48 56.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.016 0.436 . . . . 0.0 111.274 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.77 -36.34 1.9 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.191 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.13 139.25 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.828 0.347 . . . . 0.0 111.45 -174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -91.23 128.84 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.59 HG12 HD23 ' A' ' 26' ' ' LEU . 81.5 mt -123.54 117.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.682 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 47' ' ' LEU . 13.4 m -99.67 125.52 53.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.238 0.542 . . . . 0.0 110.008 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.56 115.7 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.25 143.18 85.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.706 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' HG12 ' A' ' 68' ' ' VAL . 87.4 Cg_exo -47.68 -34.52 21.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.609 2.873 . . . . 0.0 113.728 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -66.5 -40.93 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.334 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -80.89 -35.45 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.618 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' SD ' ' A' ' 0' ' ' MET . 1.2 p -60.58 -26.01 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.365 -172.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -72.79 -13.78 61.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.034 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.69 2.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.233 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.6 mt -114.86 -0.38 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 111.747 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.75 148.03 40.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 43.2 mt-30 53.87 56.63 6.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.391 0.615 . . . . 0.0 111.239 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -136.78 131.51 33.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.379 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.9 m -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.957 0.408 . . . . 0.0 110.631 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 4' ' ' LEU . 55.3 tp -99.67 129.43 45.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -146.26 161.25 40.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.35 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 12.0 p90 -114.54 133.61 55.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.009 0.433 . . . . 0.0 109.889 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.3 152.04 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -92.91 85.84 5.28 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.846 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.88 -31.19 67.78 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.293 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -131.36 117.44 16.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -44.04 121.06 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.481 2.787 . . . . 0.0 113.033 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.57 -12.18 56.62 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.193 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -123.78 108.95 13.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 110.687 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -84.47 105.31 15.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.095 0.474 . . . . 0.0 109.736 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -105.98 129.68 54.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.2 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.62 142.09 37.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.63 128.09 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.227 0.537 . . . . 0.0 110.507 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -89.36 95.41 10.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.458 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.35 102.97 8.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.629 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.19 108.54 52.71 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.093 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.53 -12.6 36.24 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.944 2.43 . . . . 0.0 112.339 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -75.22 -14.81 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.268 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 16.4 t70 -75.96 148.43 81.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 9.7 Cg_endo -54.15 -16.22 9.19 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.944 2.429 . . . . 0.0 113.017 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.423 ' HB ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -125.97 150.84 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.254 -0.279 . . . . 0.0 110.349 177.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.55 -35.43 70.64 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 46.1 ttt180 -108.1 104.69 54.46 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.931 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 99' ' ' ARG . 5.1 Cg_endo -46.86 111.55 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.755 2.97 . . . . 0.0 112.858 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 97' ' ' THR . 61.0 Cg_endo -72.98 -22.19 19.94 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.706 2.27 . . . . 0.0 111.947 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -97.34 7.23 46.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.73 67.2 1.89 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.012 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.387 -1.229 . . . . 0.0 111.74 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 115.92 -46.69 1.12 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.126 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 t -77.38 124.57 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 17.1 m -85.26 5.33 30.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 69.66 25.28 5.24 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.844 0.457 . . . . 0.0 111.67 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -127.12 129.31 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -110.64 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -98.59 115.06 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -116.65 104.3 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.825 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -85.24 97.01 9.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.406 0.622 . . . . 0.0 109.749 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.1 m -56.7 144.98 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.965 -175.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 50.5 m -66.21 109.38 2.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 104.96 8.85 35.79 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.826 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -76.6 106.16 8.09 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 13.4 m -68.06 125.83 91.93 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.202 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 24.2 Cg_exo -64.26 155.38 65.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.054 2.503 . . . . 0.0 112.446 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -84.75 -45.03 12.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.008 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -149.91 34.68 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.759 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . 3.9 p -88.35 164.3 15.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.839 0.352 . . . . 0.0 110.973 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -85.28 15.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.071 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -158.77 163.71 36.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt -85.89 1.48 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.94 126.37 27.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.054 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -105.37 84.62 2.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.2 tt -90.47 111.42 22.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -62.3 134.43 94.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.638 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.67 -31.81 62.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.91 2.407 . . . . 0.0 112.167 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.71 88.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.7 -36.56 67.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.463 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.577 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.97 -36.91 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.015 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' ALA . 62.6 t -61.19 -42.99 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.751 174.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.29 -41.05 92.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.236 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 64.5 tttm -61.56 -46.96 87.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.112 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.91 84.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' ' 22' ' ' GLU . . . -68.29 -42.09 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.461 . . . . 0.0 110.568 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.15 -24.93 68.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.566 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 24.0 mt-30 -80.95 -2.87 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.34 -157.12 8.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 119.622 -1.275 . . . . 0.0 113.202 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.06 -3.13 89.44 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 1.4 p -65.2 -18.96 65.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.828 0.451 . . . . 0.0 111.225 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 16.9 tt0 -56.18 -33.24 65.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.143 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.16 17.91 51.15 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.921 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' ASP . 62.3 mtm -132.15 -176.45 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.2 t -118.78 170.11 9.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 42' ' ' MET . 37.9 tp -98.41 107.44 19.9 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 39.1 ttm-85 -102.16 139.75 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 63' ' ' ILE . 94.7 mt -114.93 137.89 51.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.0 0.429 . . . . 0.0 111.068 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -119.75 151.64 38.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.008 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -125.88 137.8 53.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.0 97.91 0.38 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . 39.7 ttp180 -87.8 106.93 18.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -96.09 107.15 33.05 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.84 -15.66 44.38 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.543 2.162 . . . . 0.0 111.455 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.91 -22.21 29.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.676 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.27 -113.17 0.99 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.019 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -118.87 172.11 7.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.079 0.466 . . . . 0.0 110.644 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.71 108.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -105.41 137.55 43.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -118.42 140.21 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -109.74 128.83 55.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' CG ' HD11 ' A' ' 26' ' ' LEU . 34.2 ttm -106.95 125.74 51.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.635 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.92 141.89 9.22 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.043 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -75.74 128.42 35.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 24' ' ' MET . 6.5 t70 -147.96 -177.32 5.67 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -172.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.28 168.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 53' ' ' ARG . 8.1 tt -99.92 99.18 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 20.7 m -84.96 128.34 34.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.039 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.47 -14.67 60.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 111.223 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 48' ' ' THR . 38.5 t70 -91.76 -1.73 57.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.638 0.732 . . . . 0.0 110.101 176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 4.4 t70 -89.93 -177.99 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.747 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 68.3 mt -104.96 108.02 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.654 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HD2' HD21 ' A' ' 47' ' ' LEU . 70.4 mtp180 -91.99 120.69 32.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.193 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -128.08 111.07 13.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.781 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 2.3 m -85.17 125.18 32.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.818 -176.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -99.85 -170.91 1.96 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.044 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -82.82 64.42 7.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.139 0.495 . . . . 0.0 110.803 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.53 -39.22 1.24 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.374 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -131.1 145.08 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.5 tt0 -99.54 139.1 35.69 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 21.2 mt -111.74 141.1 28.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.228 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 12.6 m -123.08 121.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.217 0.532 . . . . 0.0 109.993 172.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 23.5 mt -129.99 112.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.04 140.52 61.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.052 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' HG12 ' A' ' 68' ' ' VAL . 73.2 Cg_exo -49.86 -31.83 27.86 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.365 2.71 . . . . 0.0 113.213 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.79 -48.84 65.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.499 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' PRO . 4.2 p -66.3 -12.65 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.67 -174.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 m -63.37 -12.43 30.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.109 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HB1' ' A' ' 30' ' ' ALA . 67.1 mt -120.86 -2.3 9.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.8 0.334 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 96.6 mt -110.38 14.11 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -170.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.44 -70.55 0.13 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -91.8 23.54 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.783 -0.573 . . . . 0.0 111.533 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 92' ' ' ASN . 53.9 m -76.43 117.47 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.188 0.518 . . . . 0.0 110.813 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 m -97.29 136.54 37.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.264 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD23 ' HG ' ' A' ' 4' ' ' LEU . 34.7 tp -113.63 124.79 53.18 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.697 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -137.63 154.08 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.635 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -107.16 120.68 42.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.291 0.567 . . . . 0.0 110.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.6 m -122.8 150.98 26.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.717 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.36 92.79 5.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.83 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.04 -34.86 73.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.882 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -136.62 138.14 25.69 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.761 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -46.55 114.12 0.82 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.218 2.612 . . . . 0.0 112.614 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -20.13 37.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.672 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.58 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 111.216 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.93 105.54 17.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -103.08 135.94 43.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.906 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.3 m-85 -79.42 116.03 19.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.6 pt -108.32 135.57 46.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.041 0.448 . . . . 0.0 111.027 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -87.65 97.58 10.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.518 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.66 -61.25 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.766 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.515 ' O ' ' HD2' ' A' ' 96' ' ' PRO . 52.3 t30 56.32 78.86 0.36 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.675 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.81 75.4 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.774 2.316 . . . . 0.0 111.328 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -153.82 -55.57 0.11 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.86 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.792 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 13.0 m-20 -99.12 -55.78 0.17 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.792 ' HD3' ' HB2' ' A' ' 95' ' ' ASP . 3.0 Cg_exo -76.34 118.39 4.91 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.134 1.889 . . . . 0.0 111.553 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 p -97.92 118.47 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -94.68 105.64 17.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -87.6 116.67 66.88 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -93.05 169.6 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.309 2.673 . . . . 0.0 111.94 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.85 -8.58 21.89 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 111.71 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -69.0 -20.19 64.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.471 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.56 114.26 6.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.318 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.607 -1.107 . . . . 0.0 111.471 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.67 86.26 1.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.647 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.5 p 47.88 73.87 0.19 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.432 0.693 . . . . 0.0 111.808 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.2 m -63.65 -40.19 96.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.875 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -81.45 100.67 9.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -82.35 142.23 32.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.484 -171.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -125.85 140.66 52.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -78.86 -33.32 45.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.423 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -101.52 131.33 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -64.15 114.39 4.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 15.4 m -92.21 126.01 37.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.428 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 29.5 t -151.29 156.2 40.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.804 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.87 -16.74 79.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -92.2 104.1 16.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 16.4 m 38.1 88.05 0.1 Allowed Pre-proline 0 N--CA 1.474 0.75 0 O-C-N 124.447 1.092 . . . . 0.0 113.516 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.26 -26.55 77.17 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.088 2.525 . . . . 0.0 112.242 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' -4' ' ' ARG . 0.0 OUTLIER -133.96 148.85 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.573 173.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.24 50.22 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.44 46.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.698 0.399 . . . . 0.0 111.37 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -153.46 -63.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.389 -0.194 . . . . 0.0 110.915 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 tpt -65.74 120.9 13.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.338 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.556 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 75.6 mtp -129.42 106.97 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 178.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -108.36 104.71 14.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -111.54 129.66 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.412 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' A' ' 76' ' ' LEU . 5.4 mp -104.81 146.72 28.59 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 157.39 90.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.83 -20.89 37.76 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 112.002 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.06 -54.69 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.03 90.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.82 97.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.934 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -72.77 -35.77 67.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.09 -47.17 87.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.842 0.354 . . . . 0.0 110.605 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.58 -40.49 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.354 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.42 -39.81 92.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.804 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.33 -35.6 79.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.424 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -71.87 -37.69 70.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 176.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.199 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -59.71 -20.34 55.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.72 -5.71 62.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.143 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.98 -49.72 15.65 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.84 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -114.66 15.01 17.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 26.4 tt0 -83.14 35.87 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.18 14.4 3.27 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.5 mtp -140.85 172.05 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.0 t -115.12 143.75 44.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 61' ' ' ILE . 43.1 tp -72.32 122.25 20.83 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' HG23 ' A' ' 62' ' ' VAL . 43.3 ttt180 -121.39 126.33 49.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' A' ' 63' ' ' ILE . 31.3 mt -104.93 126.47 52.02 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -107.2 146.76 30.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.123 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.51 134.42 47.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.279 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.2 -176.62 14.45 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -123.68 109.93 14.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.095 0.448 . . . . 0.0 111.339 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -87.46 106.86 12.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -36.03 -63.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.589 3.526 . . . . 0.0 114.783 -167.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.46 6.53 22.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.704 0.288 . . . . 0.0 111.076 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -71.02 1.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.364 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -163.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 60.2 mt -82.78 141.52 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -90.46 103.74 16.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 38' ' ' ILE . 71.5 m-85 -97.76 111.75 23.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 74.9 mtm-85 -115.59 107.49 15.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 44.0 mtm -106.61 115.13 29.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.84 165.93 30.75 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.033 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.24 137.74 32.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 27' ' ' ARG . 5.3 t70 -146.58 -175.16 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -95.34 147.46 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HG ' HG11 ' A' ' 62' ' ' VAL . 7.1 tt -80.81 109.07 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.106 0.479 . . . . 0.0 111.5 -171.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -92.85 133.0 36.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.133 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.43 72.46 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.526 0.679 . . . . 0.0 111.083 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.65 -38.96 0.07 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.254 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 1.1 m-20 -58.34 146.87 33.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.649 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 68' ' ' VAL . 61.7 mt -78.61 125.56 38.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.92 113.23 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.715 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -110.01 100.36 9.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.067 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.5 m -90.05 101.32 14.03 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.085 0.469 . . . . 0.0 109.913 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -88.01 -170.19 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.615 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.92 63.32 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.798 0.809 . . . . 0.0 110.244 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.04 -36.21 2.09 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.398 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.24 129.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.629 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -103.9 117.14 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.106 0.479 . . . . 0.0 109.907 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 HD23 ' A' ' 26' ' ' LEU . 71.0 mt -114.83 148.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.023 -171.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.557 HG23 ' HG3' ' A' ' 27' ' ' ARG . 11.7 m -124.52 126.16 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.983 0.42 . . . . 0.0 110.249 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD11 HD12 ' A' ' 28' ' ' LEU . 34.2 mt -135.05 114.93 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.208 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.844 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -54.32 133.4 61.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.691 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HD3' HG13 ' A' ' 52' ' ' ILE . 6.6 Cg_endo -49.58 -30.88 22.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.61 2.873 . . . . 0.0 113.133 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.41 -27.04 41.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG21 HD12 ' A' ' 52' ' ' ILE . 72.2 t -58.24 -30.81 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.973 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -62.11 -19.49 63.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.512 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.03 -12.79 15.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 0.0 110.859 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 63' ' ' ILE . 88.4 mt -109.52 15.93 22.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.674 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.83 103.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.101 0.876 . . . . 0.0 112.617 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 1' ' ' MET . 86.7 mt-30 60.34 98.46 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.924 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 m -136.66 133.56 36.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 15.2 m -101.88 122.42 43.97 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 59.8 tp -102.02 127.61 48.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 0.0 111.45 -175.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -145.01 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.641 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -129.16 133.24 47.52 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.229 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.52 153.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.389 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 13.0 pt-20 -88.99 89.53 8.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.483 0.659 . . . . 0.0 110.27 176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.75 -33.59 71.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.934 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 27.2 mt-10 -109.41 139.52 21.18 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.445 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.15 105.87 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.799 2.333 . . . . 0.0 112.495 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.43 -13.95 62.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.001 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 25.3 tp60 -116.37 105.78 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.299 0.571 . . . . 0.0 110.614 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 87.1 m-85 -76.6 148.61 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.819 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -134.86 142.98 46.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -85.8 122.06 29.34 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.5 pt -108.53 143.22 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.232 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -108.43 108.7 19.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.092 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 80.7 mt -85.47 96.7 9.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.416 0.627 . . . . 0.0 109.555 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.47 HD22 ' CZ ' ' A' ' 94' ' ' ARG . 32.8 p-10 -144.83 158.97 51.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.203 -177.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.25 22.64 0.9 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.638 2.225 . . . . 0.0 112.624 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' CZ ' HD22 ' A' ' 92' ' ' ASN . 34.0 mtm105 -118.05 -55.04 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.943 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . 10.0 m-20 -92.13 167.24 15.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.914 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 95' ' ' ASP . 50.2 Cg_exo -54.68 117.95 4.54 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.473 2.115 . . . . 0.0 112.182 176.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 m -63.27 -40.39 97.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.333 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.29 127.63 44.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.209 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -139.22 99.54 8.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.546 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.0 159.48 33.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.95 2.433 . . . . 0.0 112.053 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.84 -51.19 11.33 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.226 2.617 . . . . 0.0 113.035 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 p -75.36 -72.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.42 -167.79 27.61 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.769 -178.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.792 0.33 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -76.74 77.17 1.48 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 24.5 m -58.66 110.49 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.158 0.504 . . . . 0.0 111.719 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 41.3 t -84.82 133.74 34.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.328 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -65.83 -42.32 90.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.712 0.291 . . . . 0.0 110.615 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -93.71 145.65 24.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.96 -52.08 7.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.766 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -116.87 135.73 53.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -108.4 156.46 19.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.72 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -144.49 92.22 2.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.72 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 14.5 m -79.22 141.22 37.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 67.9 m -106.82 152.03 24.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.732 0.301 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.33 43.77 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.512 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.3 153.2 28.58 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 26.0 t 60.33 82.42 0.23 Allowed Pre-proline 0 C--O 1.234 0.256 0 O-C-N 123.873 0.733 . . . . 0.0 110.696 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.16 22.72 0.9 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.653 2.235 . . . . 0.0 113.001 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -146.54 131.38 18.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.367 . . . . 0.0 111.008 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.36 159.99 20.55 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.699 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -85.94 174.86 8.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.52 -20.49 47.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.525 ' HG3' HD22 ' A' ' 54' ' ' LEU . 92.1 mmm -87.51 134.91 33.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.584 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 60.9 mtt -99.42 8.41 44.62 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.682 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -64.64 125.95 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.384 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 1' ' ' MET . 55.6 mttp -117.92 105.8 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.138 -174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HG ' HD23 ' A' ' 76' ' ' LEU . 3.0 tt -89.53 112.93 24.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 139.19 89.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.321 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -29.65 67.38 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.823 2.349 . . . . 0.0 111.975 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -62.2 -46.05 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.66 50.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.39 72.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.838 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.95 -34.2 77.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.51 -39.9 67.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.119 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.96 -45.88 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 109.843 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.36 -40.89 75.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.451 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 tttm -55.89 -55.46 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.712 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.91 77.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.633 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.51 -37.77 65.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -68.38 -23.83 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.4 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.83 -28.84 66.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 0.0 109.725 176.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.78 155.39 13.05 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.404 -175.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 -67.96 0.23 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.59 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.4 p -93.31 7.66 43.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.627 . . . . 0.0 110.622 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.21 127.3 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.8 -16.27 57.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.514 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 86.4 mtp -83.4 165.24 19.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 110.474 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' HG13 ' A' ' 62' ' ' VAL . 35.7 t -107.88 159.09 16.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.198 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 42' ' ' MET . 35.9 tp -88.6 102.58 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 110.718 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 21.0 tpp180 -91.45 111.42 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.622 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.7 mt -97.65 145.65 26.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.027 0.441 . . . . 0.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.64 7.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -145.8 130.33 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.576 0.227 . . . . 0.0 110.637 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.53 113.39 4.56 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -89.89 101.92 14.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 47.8 m-80 -90.61 118.22 68.54 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 33' ' ' ASN . 37.9 Cg_exo -58.74 -16.82 32.86 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.321 2.681 . . . . 0.0 113.061 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.95 -15.42 62.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.763 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.76 29.55 3.55 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.715 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.65 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 22.6 t -128.17 98.83 5.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.524 HD13 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -91.63 97.67 7.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.03 108.74 20.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.326 0.584 . . . . 0.0 110.233 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 38.7 m-85 -73.91 131.72 41.75 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.267 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -108.77 144.14 36.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 111.463 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.456 ' CG ' HD11 ' A' ' 26' ' ' LEU . 41.9 ttm -122.93 122.8 39.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.847 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.17 176.55 23.36 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.89 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.63 139.68 50.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.832 0.349 . . . . 0.0 110.255 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 27.7 t70 -155.59 175.35 14.01 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.286 -175.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.66 -165.41 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -101.55 158.72 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.333 0.587 . . . . 0.0 111.521 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.23 -165.37 1.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -113.74 0.07 14.41 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.539 0.609 . . . . 0.0 110.908 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -109.11 -4.54 16.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.012 0.434 . . . . 0.0 111.15 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 3.1 p-10 -83.29 143.27 30.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.857 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.585 HD12 HG21 ' A' ' 68' ' ' VAL . 57.0 mt -88.79 126.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG12 ' A' ' 62' ' ' VAL . 61.7 mtt180 -111.67 131.72 55.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.799 -167.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -139.69 121.52 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.845 174.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -94.67 129.65 41.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.232 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -91.6 -170.77 2.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.46 -19.96 65.42 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.786 0.327 . . . . 0.0 111.522 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.61 21.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.407 -0.901 . . . . 0.0 112.774 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.24 128.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.758 0.279 . . . . 0.0 110.569 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -92.76 116.88 29.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 57.4 mt -107.72 128.23 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.599 0.238 . . . . 0.0 111.011 -176.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG12 ' HG2' ' A' ' 53' ' ' ARG . 25.9 m -123.71 128.28 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.411 0.625 . . . . 0.0 110.679 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG12 ' HB2' ' A' ' 28' ' ' LEU . 66.1 mt -127.5 134.89 64.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.194 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . . . -71.93 137.14 82.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ALA . 86.7 Cg_exo -48.9 -36.23 33.59 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.817 3.011 . . . . 0.0 114.64 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.0 -35.97 64.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 47.8 m-85 -74.28 -19.13 60.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.103 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG21 HD12 ' A' ' 52' ' ' ILE . 74.6 t -56.47 -31.97 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.935 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -60.09 -20.17 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.475 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 38' ' ' ILE . 65.4 mt -113.26 -34.28 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.261 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.12 -8.96 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.47 156.16 31.25 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.596 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.11 7.03 2.54 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.416 0.686 . . . . 0.0 111.681 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.7 m -90.26 127.84 36.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.112 0.482 . . . . 0.0 111.015 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -97.39 138.4 34.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.501 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD23 ' HG ' ' A' ' 4' ' ' LEU . 36.7 tp -107.89 115.77 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -122.51 168.65 11.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.386 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 17.1 p90 -127.02 131.81 50.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.013 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.76 157.1 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.067 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 85' ' ' GLN . 8.7 pt-20 -86.74 88.73 7.74 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.91 -20.36 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.09 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 37.9 mt-10 -129.54 150.87 76.87 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.781 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.62 106.88 0.16 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 113.203 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.15 89.5 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.5 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' GLU . 70.9 mt-30 -117.56 111.64 19.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.263 0.531 . . . . 0.0 111.342 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 71.4 m-85 -88.71 130.28 35.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.676 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -122.03 154.56 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 76' ' ' LEU . 98.7 m-85 -82.7 117.73 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.5 pt -109.0 139.01 33.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.28 0.562 . . . . 0.0 110.854 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -95.72 120.18 35.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.416 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.58 -33.81 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.009 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -72.25 122.87 88.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.322 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 31.6 Cg_exo -60.13 178.01 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.967 2.444 . . . . 0.0 112.335 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.65 ' HD3' ' HA ' ' A' ' 37' ' ' SER . 79.4 mtt85 -95.11 -2.09 50.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.94 -174.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.783 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 17.8 t70 -157.91 -59.7 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 2.2 Cg_endo -81.57 149.27 16.44 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.302 2.002 . . . . 0.0 112.582 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -82.89 139.94 33.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.229 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -63.86 -23.7 67.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.267 0.556 . . . . 0.0 109.746 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -101.14 117.26 62.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.367 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 47.5 Cg_endo -69.93 139.0 38.61 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.556 2.17 . . . . 0.0 112.074 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 39.0 Cg_exo -61.31 -36.92 76.72 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.662 2.241 . . . . 0.0 111.214 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 m -94.19 98.92 11.28 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.382 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -145.32 -133.28 2.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.082 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.702 -1.054 . . . . 0.0 112.017 -177.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.784 0.326 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -88.87 151.78 22.51 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 12.0 t -94.37 87.77 5.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.218 0.532 . . . . 0.0 110.216 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 16.9 m -100.1 -10.15 21.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.359 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -80.06 73.5 6.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.532 . . . . 0.0 110.921 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.17 103.55 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.795 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -126.7 95.91 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.266 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -71.07 -44.51 65.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -84.78 112.15 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.19 -34.87 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.165 0.507 . . . . 0.0 110.234 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 44.5 t -113.83 128.8 56.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.22 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 1.5 t -141.41 150.31 42.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.288 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -90.03 -137.43 6.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.977 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -76.7 -75.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.446 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 30.5 m -117.88 140.39 27.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.435 -175.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 3.9 Cg_endo -86.5 138.51 5.44 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.27 2.647 . . . . 0.0 111.546 175.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -87.47 -32.08 19.66 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 65.96 -118.5 11.42 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.149 -0.932 . . . . 0.0 114.099 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 45.7 m -69.57 108.18 3.72 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -113.42 34.13 4.71 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 167.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 ttt -49.07 130.35 18.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.693 -1.594 . . . . 0.0 113.334 -170.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm -128.72 95.16 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.313 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.474 ' CD2' HG13 ' A' ' 61' ' ' ILE . 50.5 t80 -77.35 108.15 10.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' A' ' 75' ' ' THR . 94.1 mttt -96.47 106.78 19.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.612 -172.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.45 130.02 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 170.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -66.02 148.97 98.12 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 71.6 Cg_exo -49.52 -42.41 42.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.499 2.133 . . . . 0.0 112.195 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -67.51 -37.15 82.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.396 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.2 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -38.05 67.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.303 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 6' ' ' PRO . 55.6 mt-10 -66.69 -35.46 80.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.508 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -68.14 -35.43 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.033 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 44' ' ' PHE . 94.2 t -64.33 -46.4 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.895 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.99 -41.88 88.66 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.454 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 86.5 tttt -58.21 -49.73 76.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.112 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.77 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.1 -25.1 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -77.93 -24.89 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.4 mt-30 -65.74 -34.62 78.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.005 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.9 160.45 11.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.151 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.36 -57.9 4.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.405 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 11.5 p -88.53 15.06 8.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.341 176.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.86 109.86 1.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.126 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.27 79.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.957 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 21' ' ' THR . 91.9 mtp -87.98 152.26 22.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.3 150.69 20.28 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 61' ' ' ILE . 39.1 tp -95.45 113.02 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 6.0 ttp180 -101.67 142.12 33.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.076 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 HD11 ' A' ' 63' ' ' ILE . 74.7 mt -118.68 147.12 44.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.4 148.52 47.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.148 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 116.69 19.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.1 124.64 5.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.126 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' HG12 ' A' ' 38' ' ' ILE . 35.8 mtp85 -83.45 127.36 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 0.0 111.242 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.42 HD21 ' HB2' ' A' ' 39' ' ' ASP . 50.5 m-80 -91.82 157.61 41.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.08 -19.63 64.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.75 2.3 . . . . 0.0 111.963 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.09 -21.9 63.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.872 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.96 -14.33 52.49 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -74.92 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.416 -0.392 . . . . 0.0 111.068 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 32' ' ' ARG . 37.5 mt -89.93 118.07 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 22.6 t70 -90.18 112.9 24.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -100.09 113.17 25.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 39' ' ' ASP . 9.6 mmt180 -101.49 134.62 44.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.718 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 90' ' ' PHE . 26.6 mtp -111.86 139.45 47.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.54 3.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.894 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 97.9 m-85 -76.47 122.53 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -145.45 -164.2 1.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.3 -171.12 3.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' HG11 ' A' ' 62' ' ' VAL . 5.3 tt -133.79 108.6 8.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.876 0.369 . . . . 0.0 110.299 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.55 147.42 23.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.437 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.97 -3.41 19.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.372 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.28 -32.66 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.879 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.26 150.37 43.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.491 -172.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.535 HD12 HG21 ' A' ' 68' ' ' VAL . 68.1 mt -81.36 112.58 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.707 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -89.95 103.62 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.75 120.56 40.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.273 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.2 m -93.7 122.99 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.0 0.429 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 t -103.23 -157.42 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.663 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.96 63.13 5.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.466 0.651 . . . . 0.0 111.037 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.96 -29.92 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.283 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 t -110.89 139.04 36.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -107.14 138.16 43.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.079 0.466 . . . . 0.0 110.369 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 2' ' ' PHE . 22.2 mm -114.8 127.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.116 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG ' ' A' ' 47' ' ' LEU . 7.3 m -111.68 121.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.231 0.539 . . . . 0.0 110.739 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 28' ' ' LEU . 57.8 mt -133.87 122.02 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.353 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -60.31 137.16 91.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.23 -30.31 19.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.535 2.824 . . . . 0.0 113.574 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.14 -47.96 81.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.047 0.451 . . . . 0.0 110.982 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -81.18 -20.92 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.367 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.535 HG21 HD12 ' A' ' 52' ' ' ILE . 61.4 t -59.26 -25.78 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.467 177.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -59.6 -24.26 63.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.096 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.8 mt -119.63 5.5 11.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.943 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.56 87.34 2.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -140.74 140.21 34.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.903 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 57.87 26.6 13.48 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 0.0 112.268 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 92' ' ' ASN . 7.7 m -87.53 142.05 28.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 16.1 m -102.98 144.9 30.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.027 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 88' ' ' PHE . 33.0 tp -120.59 123.62 43.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.902 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.78 149.73 40.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 11.6 p90 -99.0 133.08 43.78 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.225 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.408 HG23 ' HG ' ' A' ' 81' ' ' LEU . 18.8 m -141.61 141.2 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.986 0.422 . . . . 0.0 110.251 176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.71 87.76 4.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 79' ' ' VAL . 92.0 mt -75.99 -35.7 59.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 0.0 109.463 175.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 26.2 mt-10 -114.76 130.99 23.65 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.01 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.43 112.16 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.866 2.378 . . . . 0.0 112.826 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.51 -0.11 63.16 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 53.9 tp60 -123.62 104.66 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.176 0.512 . . . . 0.0 111.022 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.17 94.29 7.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.577 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -100.63 136.67 40.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.837 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.1 m-85 -80.63 135.38 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.167 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.4 143.11 23.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.865 0.364 . . . . 0.0 110.54 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.403 ' HZ ' ' HG2' ' A' ' 42' ' ' MET . 56.7 m-85 -91.52 95.9 10.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.166 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 91.2 mt -78.26 94.84 4.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' HG23 ' A' ' 74' ' ' THR . 48.9 t30 -116.36 110.13 43.38 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.868 -177.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -60.21 -22.71 71.42 Favored 'Trans proline' 0 N--CA 1.473 0.32 0 C-N-CA 123.555 2.837 . . . . 0.0 113.962 -171.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 0.9 OUTLIER -78.97 -26.31 43.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 110.674 -179.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 75.6 m-20 -98.42 148.39 34.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.638 -173.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 5.5 Cg_exo -79.33 92.65 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.885 2.39 . . . . 0.0 112.424 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.8 m -94.57 -37.65 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.47 0.652 . . . . 0.0 109.624 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -125.86 116.58 21.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.262 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' ' 104' ' ' GLY . 12.5 ttp180 -112.6 113.71 50.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.927 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.28 149.85 81.29 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.656 2.237 . . . . 0.0 110.789 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.32 -33.46 96.18 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 111.948 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -111.93 111.08 21.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.458 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.24 25.42 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.124 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 99' ' ' ARG . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.484 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.959 0.409 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -105.54 -43.0 1.64 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 14.2 m -137.05 105.1 5.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 82.0 p -64.36 166.1 8.7 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.178 0.513 . . . . 0.0 111.624 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.78 -17.02 62.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.639 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -86.84 -34.75 19.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.418 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -66.92 -34.23 77.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 109.909 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -68.37 128.3 36.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -77.5 67.75 3.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.8 0.81 . . . . 0.0 111.779 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -136.18 17.27 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.704 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 41.7 t -81.61 59.33 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.225 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 69.8 m -75.47 95.0 3.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.0 -99.04 2.57 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.045 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.69 -13.71 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.731 0.301 . . . . 0.0 111.122 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 17.8 m -66.59 136.01 94.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 37.2 Cg_exo -61.76 115.64 2.93 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.019 2.479 . . . . 0.0 112.151 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -79.1 -16.17 57.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.276 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.03 106.48 3.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.134 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.9 p -63.96 114.4 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.595 0.236 . . . . 0.0 110.543 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -71.13 -22.98 62.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.86 ' HG3' HG13 ' A' ' 68' ' ' VAL . 13.2 tmm? -137.55 132.09 32.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.0 mtp -112.35 73.71 0.83 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 56.8 t80 -100.48 101.39 12.32 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -96.22 109.68 22.11 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.5 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.8 tt -93.3 111.16 22.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -64.63 139.24 97.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.527 0.203 . . . . 0.0 111.104 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.99 -28.27 58.7 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.963 2.442 . . . . 0.0 112.271 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 -41.25 81.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.708 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.86 -31.77 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.95 69.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.084 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.94 -40.5 87.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.781 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.93 -40.76 97.21 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.65 -46.61 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.22 -47.4 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.886 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 59.8 tttm -64.88 -42.34 94.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.504 -178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.78 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -71.34 -35.72 71.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 0.0 110.683 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -68.12 -22.38 64.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 78.8 mm-40 -60.3 -28.67 68.3 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.86 164.86 11.81 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.1 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.32 -57.1 5.01 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.215 -0.517 . . . . 0.0 112.573 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.641 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 35.7 p -97.19 7.27 46.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.553 . . . . 0.0 111.031 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.95 116.11 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.665 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.08 65.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' A' ' 21' ' ' THR . 89.2 mmm -87.84 171.68 10.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.821 0.343 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.28 148.37 39.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' HG12 ' A' ' 61' ' ' ILE . 26.2 tp -82.68 121.94 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -121.34 133.44 55.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.101 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 63' ' ' ILE . 85.8 mt -113.77 129.11 56.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.759 -176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 41' ' ' ARG . . . -111.32 124.02 51.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.852 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.72 131.79 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.538 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.78 -161.8 9.53 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -123.67 150.69 43.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.956 0.408 . . . . 0.0 110.975 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.854 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 88.8 m-20 -99.11 145.91 30.81 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -36.43 -55.79 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 124.459 3.439 . . . . 0.0 115.716 -170.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.29 83.97 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.252 -176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.73 49.75 6.38 Favored Glycine 0 C--N 1.32 -0.352 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.929 165.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.854 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 22.7 m -152.5 159.3 43.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' ASP . 44.7 mt -110.7 149.6 13.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -114.5 119.53 37.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.614 0.245 . . . . 0.0 110.69 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -116.12 120.88 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.596 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 62.0 ttt180 -115.68 127.1 54.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 0.0 110.732 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.686 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 58.0 ttp -110.47 124.19 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.949 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.76 164.7 29.56 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.116 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.5 115.41 27.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.76 -164.25 1.47 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.761 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.16 162.93 23.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -100.01 119.57 38.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 50' ' ' ASP . 5.7 m -123.77 124.49 42.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.626 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.49 -14.14 62.4 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.583 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 48' ' ' THR . 3.2 m-20 -71.02 -14.58 62.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.594 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 2.8 m-20 -97.82 158.52 15.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.692 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 68' ' ' VAL . 44.2 mt -73.76 132.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.937 0.399 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -84.77 113.72 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.179 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 2' ' ' PHE . 38.8 tp -114.95 100.33 8.12 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -108.16 118.36 36.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 111.329 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -89.92 -165.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.12 -13.98 61.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.596 0.236 . . . . 0.0 111.58 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.17 -39.31 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.115 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.35 125.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.605 -0.35 . . . . 0.0 110.888 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -99.57 129.23 45.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 0.0 109.962 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' A' ' 26' ' ' LEU . 54.3 mt -113.72 132.97 61.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.635 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 12.6 m -111.42 119.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.373 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 28' ' ' LEU . 56.4 mt -128.55 120.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 144.05 98.73 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.246 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -48.76 -33.68 25.55 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.339 2.693 . . . . 0.0 113.222 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -59.34 -41.16 88.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -83.25 -23.59 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 0.0 110.615 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.86 HG13 ' HG3' ' A' ' 0' ' ' MET . 92.9 t -58.07 -32.37 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -57.23 -26.94 61.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.275 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 38' ' ' ILE . 92.7 mt -108.03 -35.06 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.56 -11.36 60.62 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HH12 ' A' ' 94' ' ' ARG . 15.0 t70 -60.52 140.94 57.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.691 0.281 . . . . 0.0 111.337 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 56.79 62.52 2.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.715 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 23.9 m -130.85 117.4 19.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.854 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 14.5 m -93.99 116.19 28.6 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD23 ' HG ' ' A' ' 4' ' ' LEU . 33.4 tp -95.62 111.36 23.31 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -134.89 153.17 52.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.588 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 15.7 p90 -102.74 130.16 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.972 -176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.34 158.35 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.05 97.07 7.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.36 0.6 . . . . 0.0 110.442 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.94 -30.33 20.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.434 0.635 . . . . 0.0 109.313 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.5 mt-10 -129.01 143.94 50.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.73 111.07 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.085 2.523 . . . . 0.0 113.359 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.57 -5.47 83.42 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.941 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 85.2 mm-40 -111.5 104.61 13.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.588 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 98.3 m-85 -88.24 112.46 22.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -99.84 144.5 28.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.272 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 76' ' ' LEU . 88.6 m-85 -81.77 122.43 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.8 pt -108.43 140.87 25.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.686 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 95.5 m-85 -92.01 96.51 10.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.988 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 93.2 mt -78.0 90.37 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.392 0.615 . . . . 0.0 109.654 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -123.41 128.26 25.3 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.797 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -2.71 12.96 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.666 2.244 . . . . 0.0 113.58 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.524 HH12 ' HB3' ' A' ' 72' ' ' ASP . 61.6 mtt180 -97.21 -38.38 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.84 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 29.4 t70 -109.62 104.66 55.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 176.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.613 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 1.7 Cg_endo -81.16 74.25 5.58 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.767 2.312 . . . . 0.0 110.621 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -52.41 -33.78 45.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.791 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -94.73 -0.93 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.613 ' O ' ' HB2' ' A' ' 96' ' ' PRO . 31.9 ttp180 -165.34 96.23 0.84 Allowed Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.414 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 175.05 1.83 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.873 2.382 . . . . 0.0 111.685 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.73 49.16 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.967 2.445 . . . . 0.0 112.318 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -163.43 152.34 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -149.97 -80.2 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.866 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.251 176.514 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -54.46 148.42 21.15 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.9 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 10.5 m -57.62 -57.59 12.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 111.14 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.2 p -101.64 135.18 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.985 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -99.94 122.96 43.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.568 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -68.0 -39.4 83.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 109.667 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -98.73 124.11 43.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.383 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -73.36 -48.98 29.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -116.58 140.41 49.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.898 0.38 . . . . 0.0 110.795 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -113.45 133.36 55.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.619 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m -92.99 34.89 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.314 0.578 . . . . 0.0 110.86 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.7 p -127.02 43.43 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.503 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -82.86 169.6 48.76 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.091 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.1 150.21 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 67.2 t 65.01 97.73 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.242 0 O-C-N 123.676 0.61 . . . . 0.0 110.803 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.96 158.55 34.49 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 111.913 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.76 -31.47 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.31 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' -1' ' ' HIS . . . 93.38 8.15 61.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.564 -176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.5 p -76.04 33.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.245 0.545 . . . . 0.0 111.455 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' -3' ' ' GLY . 12.5 t-160 -122.31 -3.58 8.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.616 ' HG2' HG13 ' A' ' 68' ' ' VAL . 42.0 mmm -151.15 95.37 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.39 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -85.18 72.15 10.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -94.54 104.29 16.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' HB2' HG23 ' A' ' 75' ' ' THR . 91.7 mttt -91.92 96.86 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' ' 76' ' ' LEU . 10.5 tt -93.26 125.43 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.745 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -78.62 148.37 73.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.77 -39.49 91.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.27 2.646 . . . . 0.0 112.912 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.44 76.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -71.6 -44.08 65.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.004 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 4' ' ' LEU . . . -57.54 -41.73 81.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.838 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.67 -43.89 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.73 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.5 -38.77 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.614 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ALA . 59.3 t -62.23 -46.28 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.27 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.66 -36.93 85.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.818 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.9 tttm -61.47 -44.89 96.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.036 0.446 . . . . 0.0 109.881 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.45 91.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.155 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.99 -29.27 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.157 0.504 . . . . 0.0 110.551 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.16 -17.07 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.694 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 95.9 mt-30 -60.56 -42.17 96.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.265 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.16 -52.65 0.82 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.421 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.55 -55.47 29.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.12 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 p -87.68 29.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 0.0 111.866 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -81.79 -44.41 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.173 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.32 37.4 3.13 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.611 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -133.76 170.77 15.08 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 39.1 t -130.05 156.26 44.79 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 61' ' ' ILE . 21.5 tp -85.08 117.35 23.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 0.0 110.367 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -113.73 135.62 53.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.185 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 63' ' ' ILE . 85.1 mt -113.14 143.75 43.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.25 38.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.344 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.07 106.14 16.99 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.71 110.32 3.99 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.07 114.96 15.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.756 0.312 . . . . 0.0 110.771 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -103.92 101.59 26.23 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.81 -21.57 64.33 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.376 2.718 . . . . 0.0 113.916 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.34 -11.99 41.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.112 0.482 . . . . 0.0 110.848 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.32 -85.4 0.26 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.382 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 31.0 p -163.72 -173.52 3.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.53 108.95 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.755 0.312 . . . . 0.0 110.39 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.25 128.8 36.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 94' ' ' ARG . 16.2 m-85 -92.48 116.8 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.673 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.18 133.67 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.486 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . 48.2 ttm -106.85 131.54 53.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.988 174.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.55 27.07 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.285 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -88.48 116.07 26.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -130.0 -164.32 1.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 -173.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -93.71 137.62 32.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.469 . . . . 0.0 111.445 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 7.4 tt -78.33 133.0 37.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.198 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 16.7 m -134.97 139.97 45.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' HH11 ' A' ' 53' ' ' ARG . 38.5 mt-10 -79.93 -40.57 27.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.21 -32.04 73.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.315 0.579 . . . . 0.0 109.775 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.61 136.39 52.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.506 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 68' ' ' VAL . 68.4 mt -64.65 111.64 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.322 0.582 . . . . 0.0 111.428 -171.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.53 HH11 ' HA ' ' A' ' 49' ' ' GLU . 23.6 mtm-85 -99.49 146.85 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.045 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 84.8 mt -121.08 163.26 18.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.921 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -145.68 97.21 2.94 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.091 0.472 . . . . 0.0 110.178 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -91.8 93.99 9.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.989 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 70.85 -51.6 0.68 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.122 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.36 -33.66 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.367 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -76.05 121.83 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -94.48 130.43 40.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.252 0.549 . . . . 0.0 110.613 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HD12 HD23 ' A' ' 26' ' ' LEU . 24.9 mm -113.52 143.48 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.773 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 53' ' ' ARG . 6.3 m -117.63 120.89 66.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.565 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 HD11 HD12 ' A' ' 28' ' ' LEU . 79.2 mt -134.77 124.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.519 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.14 139.28 97.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -46.87 -38.11 22.73 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.66 2.906 . . . . 0.0 113.691 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.57 -35.08 76.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.59 -13.63 31.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.105 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 0' ' ' MET . 42.4 t -58.55 -33.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.169 0.509 . . . . 0.0 111.1 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -78.69 5.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.39 -36.89 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.37 -0.89 57.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.1 -174.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.81 142.6 57.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.468 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 66.46 22.84 10.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.428 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.7 m -86.5 124.79 33.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.843 0.354 . . . . 0.0 110.393 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 91' ' ' LEU . 24.5 m -99.91 110.01 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.451 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 59.7 tp -85.93 102.34 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.613 -178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -105.96 151.31 24.77 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 62.6 t80 -115.92 108.42 16.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.8 m -133.84 166.03 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.546 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -106.78 94.33 5.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.58 -33.86 76.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -136.11 127.76 17.19 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.98 111.38 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.446 2.764 . . . . 0.0 113.336 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.93 -38.02 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.905 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.8 97.03 8.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.781 0.324 . . . . 0.0 111.66 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.95 142.95 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -137.28 140.04 41.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.03 0.443 . . . . 0.0 111.6 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 95.3 m-85 -81.35 114.59 20.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.47 126.38 65.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.321 0.581 . . . . 0.0 110.696 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HZ ' ' HB2' ' A' ' 42' ' ' MET . 96.6 m-85 -86.67 93.86 9.33 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.551 ' HB3' ' HB ' ' A' ' 75' ' ' THR . 28.1 tp -71.24 89.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.286 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -170.21 115.42 0.48 Allowed Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.764 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' A' ' 98' ' ' TYR . 77.4 Cg_exo -47.94 119.2 3.65 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.447 2.098 . . . . 0.0 111.416 176.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 42.7 mtm180 -81.1 22.53 0.63 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.584 -170.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.826 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 38.2 t70 -171.05 -58.95 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.872 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.826 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 6.0 Cg_exo -79.41 -173.05 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.492 2.128 . . . . 0.0 112.317 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 m -99.35 157.93 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.975 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.514 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 76.9 t80 -112.84 149.15 33.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.505 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 73.68 93.77 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 O-C-N 123.854 0.721 . . . . 0.0 110.673 173.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -95.26 128.64 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.49 2.793 . . . . 0.0 112.498 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.19 -61.3 0.07 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.311 2.007 . . . . 0.0 112.007 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p -100.81 109.67 21.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.04 -113.64 1.15 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.939 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 118.362 -1.244 . . . . 0.0 111.647 -178.803 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -165.94 -111.25 0.24 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 5.0 p -69.87 141.47 53.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.716 0.293 . . . . 0.0 110.369 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.9 t -71.71 121.66 19.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.18 152.01 43.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.465 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.58 -38.43 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -134.7 143.21 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.673 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -84.92 132.22 34.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -55.95 -27.49 52.66 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -167.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -142.45 129.78 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.323 . . . . 0.0 110.444 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 13.1 m -75.72 139.33 41.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.679 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 4.7 m -63.19 -19.22 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -70.26 -17.14 73.86 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.219 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -91.62 66.19 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.46 111.4 59.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.505 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.0 -2.67 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.839 2.36 . . . . 0.0 112.179 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -78.58 -19.8 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.046 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -99.96 2.04 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 m 52.44 49.31 20.74 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 171.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -74.56 83.43 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.31 144.68 26.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.474 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt -115.92 120.06 37.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.497 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -135.19 109.67 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 50.6 mttm -90.27 88.48 7.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HG ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.48 106.16 15.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -64.98 146.92 98.79 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.304 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HG2' ' A' ' 57' ' ' GLU . 11.6 Cg_endo -54.31 -42.0 71.4 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.508 2.806 . . . . 0.0 114.116 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.69 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.639 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -72.66 -29.03 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.344 176.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.86 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.34 -35.43 80.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.161 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.489 HE21 ' HB2' ' A' ' 86' ' ' PHE . 6.9 tp60 -65.51 -44.63 86.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.229 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 8' ' ' ALA . 74.8 t -63.9 -41.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.26 -41.05 92.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.365 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 36.7 ttpt -67.01 -38.76 86.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.46 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.31 95.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.72 -33.21 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.536 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -69.3 -31.81 70.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.759 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 96.9 mt-30 -80.01 6.51 11.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.84 -171.81 12.32 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.18 6.21 75.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.737 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -87.57 18.67 3.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.726 0.298 . . . . 0.0 111.625 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.68 -48.06 82.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.107 0.479 . . . . 0.0 110.727 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.14 30.29 6.42 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.081 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 50.4 ttm -126.92 138.89 53.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 62' ' ' VAL . 5.8 t -82.69 159.23 22.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.711 0.291 . . . . 0.0 110.512 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 61' ' ' ILE . 25.9 tp -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 111.019 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 62' ' ' VAL . 20.0 tpp180 -97.69 115.8 28.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.645 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 63' ' ' ILE . 68.3 mt -93.59 148.05 22.44 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.939 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.38 161.21 38.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.55 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.52 114.13 11.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.34 99.69 1.8 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.027 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' ILE . 32.7 ptt180 -76.74 120.22 21.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -74.68 154.51 87.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.22 -24.05 48.58 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.797 2.331 . . . . 0.0 112.969 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.33 -0.27 49.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.365 . . . . 0.0 111.417 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.84 61.13 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.311 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -69.32 113.72 6.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 58.2 mt -88.82 118.64 34.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 111.05 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.51 107.15 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -76.16 126.5 31.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -121.65 136.37 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.156 0.503 . . . . 0.0 110.862 -171.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.5 ttm -116.8 135.1 54.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.067 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -156.75 175.11 34.4 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.72 144.42 41.03 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.219 0.51 . . . . 0.0 110.307 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.51 -176.87 6.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.94 165.31 15.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.39 0.614 . . . . 0.0 112.419 -174.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.87 115.12 29.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.048 -175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 140.77 48.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.171 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.25 -4.1 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.139 0.495 . . . . 0.0 110.041 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 -18.88 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.768 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -85.84 162.7 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.54 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 68' ' ' VAL . 55.7 mt -72.4 108.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.267 0.556 . . . . 0.0 110.028 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' HG12 ' A' ' 62' ' ' VAL . 40.1 mmm-85 -89.29 103.75 16.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.514 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 99.4 mt -105.37 101.16 10.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -91.59 98.55 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 p -112.54 111.87 23.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 6' ' ' PRO . 14.2 tp10 73.13 -56.29 0.66 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.048 0.843 . . . . 0.0 111.257 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.93 -28.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.39 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.99 136.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -96.43 129.42 43.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.027 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 13.5 mm -110.07 137.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.516 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 25' ' ' CYS . 4.7 m -119.94 110.97 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.367 0.603 . . . . 0.0 110.161 172.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 28' ' ' LEU . 58.3 mt -119.5 137.69 52.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.757 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -90.29 151.2 44.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.203 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.38 -29.79 40.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.774 2.983 . . . . 0.0 113.236 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.44 -27.67 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.367 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -101.53 -22.54 14.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.309 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 HD12 ' A' ' 52' ' ' ILE . 64.4 t -56.69 -30.06 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t -75.62 -5.67 46.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.518 -175.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -134.78 15.78 3.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -132.58 3.35 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.68 156.04 22.85 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.899 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 69.73 16.4 7.91 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.726 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.1 m -90.88 126.84 36.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.058 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 3' ' ' LYS . 17.3 m -98.84 124.95 44.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.365 172.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 88' ' ' PHE . 61.4 tp -100.75 109.44 21.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.846 0.355 . . . . 0.0 110.711 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.73 151.84 37.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.361 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -106.28 105.25 15.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.488 0.661 . . . . 0.0 109.45 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.35 144.73 19.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.367 0.603 . . . . 0.0 110.968 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.8 tt0 -79.61 86.09 5.27 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.773 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -79.92 -25.76 40.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.151 0.501 . . . . 0.0 109.658 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 77.8 mm-40 -120.42 136.92 25.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.48 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.16 109.14 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.683 2.255 . . . . 0.0 112.527 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.72 -10.37 74.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.725 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 50.3 tt0 -118.91 107.6 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.11 0.481 . . . . 0.0 110.499 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.489 ' HB2' HE21 ' A' ' 11' ' ' GLN . 98.5 m-85 -81.76 118.1 22.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.345 0.593 . . . . 0.0 110.72 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -98.89 132.51 44.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.593 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 76' ' ' LEU . 92.2 m-85 -75.98 126.84 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.332 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.6 pt -115.39 142.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.859 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -106.24 100.21 9.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.801 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 98' ' ' TYR . 6.4 tt -95.41 108.91 21.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.159 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 33.5 p30 -140.64 150.86 61.72 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.691 0.282 . . . . 0.0 110.768 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 4.2 Cg_exo -82.17 29.46 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.234 2.623 . . . . 0.0 111.477 175.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -107.09 -30.14 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.88 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.17 140.08 22.73 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.35 -11.65 1.24 Allowed 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.538 2.825 . . . . 0.0 114.592 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.9 m -61.52 -39.91 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.501 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' ' 91' ' ' LEU . 67.8 m-85 -122.53 108.61 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.31 0.576 . . . . 0.0 110.192 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 99' ' ' ARG . 19.0 mtp180 -102.01 123.42 43.67 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.57 -171.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.1 152.63 24.43 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.523 2.149 . . . . 0.0 111.48 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.95 -20.2 64.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.524 2.149 . . . . 0.0 112.071 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -95.23 3.1 54.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.46 -173.54 18.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.02 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.201 -1.333 . . . . 0.0 111.522 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -64.21 -39.51 97.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.479 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 11.6 p -128.89 105.26 8.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.902 0.382 . . . . 0.0 110.046 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 10.6 p -67.93 -28.57 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -89.73 100.55 13.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -72.17 116.1 12.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.43 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -65.51 -29.11 69.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.079 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -94.17 88.43 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 92.78 4.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.66 -170.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -100.2 157.53 16.51 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 171.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 67.7 p -75.24 10.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.8 p -111.82 131.28 55.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.244 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -74.71 -30.06 60.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.955 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -84.52 158.79 20.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.896 0.379 . . . . 0.0 110.666 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 24.8 m -89.81 139.8 27.76 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 8.3 Cg_exo -72.51 164.48 35.48 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.959 2.439 . . . . 0.0 112.306 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -99.67 141.44 32.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -73.46 144.23 33.98 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.302 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.1 m -81.18 170.68 15.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -99.28 -46.97 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.655 ' SD ' HG13 ' A' ' 68' ' ' VAL . 86.7 mmm -135.4 140.06 44.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.231 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.7 18.54 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.835 0.35 . . . . 0.0 110.677 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 74' ' ' THR . 67.3 t80 -67.42 117.07 8.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.518 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -108.84 111.35 23.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.01 115.79 31.08 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -66.65 149.76 97.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.004 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 36.1 Cg_exo -61.35 -21.05 70.76 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.516 2.144 . . . . 0.0 111.279 176.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' HB1' ' HE1' ' A' ' 78' ' ' TYR . . . -75.57 -54.08 7.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.665 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' ' 77' ' ' ASP . . . -65.42 -38.32 89.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.943 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -33.46 71.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.772 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.12 -41.0 95.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.421 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.75 -26.87 60.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.314 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 8' ' ' ALA . 87.3 t -65.48 -43.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.63 -43.89 97.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.956 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.836 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.228 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.042 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -70.94 -45.18 64.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.408 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.426 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.64 -16.74 33.01 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.962 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.59 39.06 56.97 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.06 -0.59 . . . . 0.0 111.94 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.45 28.41 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.253 0.549 . . . . 0.0 110.796 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.29 -12.21 60.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.836 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.43 1.05 85.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.681 -174.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtm -125.93 172.14 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.326 0.563 . . . . 0.0 111.177 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.68 150.3 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 61' ' ' ILE . 51.3 tp -74.33 111.41 9.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 0.0 110.079 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 62' ' ' VAL . 50.4 ttt180 -111.47 126.96 55.51 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD22 ' HG2' ' A' ' 42' ' ' MET . 70.4 mt -98.15 124.47 42.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.06 0.457 . . . . 0.0 111.149 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.05 139.67 48.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.986 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.77 137.38 49.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.89 165.65 13.01 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.3 mtp180 -111.23 126.37 54.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 117.16 0.48 . . . . 0.0 110.721 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.59 117.15 66.65 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 171.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -32.48 90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.889 3.726 . . . . 0.0 114.909 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 49.65 34.3 7.06 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.371 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.05 -65.64 0.32 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.927 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.0 p -150.44 170.67 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.722 0.296 . . . . 0.0 110.777 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -95.99 137.18 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.438 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.01 130.0 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CE1' HD23 ' A' ' 71' ' ' LEU . 75.4 m-85 -117.68 128.59 55.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.753 0.311 . . . . 0.0 111.597 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -129.4 116.47 19.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.086 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' HD22 ' A' ' 28' ' ' LEU . 53.8 mtm -107.74 109.67 21.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 165.39 25.9 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.207 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.69 132.21 36.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.177 0.513 . . . . 0.0 110.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -144.01 173.45 11.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.83 141.6 37.59 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.05 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.6 tt -69.22 116.14 9.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 -176.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -100.12 143.36 30.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.927 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.86 -23.27 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.532 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.34 -24.88 57.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.377 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.32 151.72 29.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 -177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.3 mt -82.11 131.59 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.069 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -88.96 131.32 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.963 0.411 . . . . 0.0 111.133 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 82.2 mt -125.66 105.39 8.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.129 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.8 m -86.4 108.17 18.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.077 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 80.7 p -88.0 -153.46 0.24 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 6' ' ' PRO . 22.3 mm-40 -82.69 61.46 5.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.312 0.577 . . . . 0.0 110.182 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.54 -35.87 4.03 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.315 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 56' ' ' SER . 58.4 t -86.86 125.26 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.967 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.08 120.14 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.936 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 26' ' ' LEU . 29.8 mt -115.23 143.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.523 -176.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.642 HG23 ' HG3' ' A' ' 27' ' ' ARG . 10.9 m -128.25 136.35 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.948 0.404 . . . . 0.0 110.336 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 28' ' ' LEU . 65.6 mt -129.25 124.36 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.18 142.99 85.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.861 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HA ' HG23 ' A' ' 68' ' ' VAL . 71.4 Cg_exo -50.06 -35.71 42.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.393 2.728 . . . . 0.0 113.015 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.85 -36.18 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.553 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.45 -10.3 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.383 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.655 HG13 ' SD ' ' A' ' 0' ' ' MET . 38.9 t -43.09 -55.24 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 p -66.03 -21.68 66.4 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.2 mt -92.05 -22.75 19.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.959 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 63' ' ' ILE . 57.6 mt -102.53 2.08 35.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.094 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.34 148.47 24.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.778 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.11 17.74 10.39 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.846 0.716 . . . . 0.0 111.527 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 2' ' ' PHE . 19.1 m -90.88 115.15 27.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 17.4 m -92.84 119.85 32.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 88' ' ' PHE . 60.7 tp -109.35 121.4 45.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 38.5 t0 -146.36 168.59 20.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HE1' ' HB1' ' A' ' 7' ' ' ALA . 29.5 p90 -116.58 131.15 57.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.273 0.558 . . . . 0.0 110.593 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.74 154.74 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.998 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.38 88.55 3.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.752 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -17.87 61.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 38.7 mt-10 -135.8 136.85 24.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.377 172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.56 108.25 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.245 1.963 . . . . 0.0 111.761 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.06 -11.63 44.66 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.7 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 61.6 mt-30 -120.02 111.32 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -84.46 103.9 14.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.601 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -98.28 137.54 36.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.3 m-85 -77.88 127.36 32.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.64 134.85 49.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.08 0.467 . . . . 0.0 110.517 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.9 94.89 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.81 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 90.9 mt -86.1 94.78 9.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.458 0.647 . . . . 0.0 110.041 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -124.27 124.46 25.83 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.338 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.87 -10.54 27.2 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.761 2.307 . . . . 0.0 113.082 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 94' ' ' ARG . 60.6 mtt85 -90.62 8.01 36.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.482 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 17.8 t70 -147.86 151.42 38.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 95' ' ' ASP . 68.1 Cg_exo -39.38 99.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.015 2.477 . . . . 0.0 112.98 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.27 146.09 25.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.293 -172.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -82.32 104.07 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 175.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -108.32 107.14 59.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.3 Cg_exo -69.63 130.21 19.1 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.951 2.434 . . . . 0.0 112.134 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 24.1 Cg_exo -64.82 -9.5 21.4 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.064 2.509 . . . . 0.0 112.026 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -71.62 -18.32 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.734 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.33 -78.91 0.38 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.201 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.13 -1.372 . . . . 0.0 111.327 -179.219 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.56 0.219 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . -80.05 49.52 3.76 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.26 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 21.2 m -109.3 98.29 7.73 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 19.3 m -101.18 108.41 20.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -75.29 107.74 7.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -77.0 126.59 31.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -95.81 113.52 25.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -100.36 156.33 17.31 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -65.8 -40.65 92.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -98.66 99.68 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.161 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.7 m -77.88 161.61 27.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.951 -176.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' -6' ' ' VAL . 8.4 m -75.08 -11.3 60.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.472 -175.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -80.11 4.69 65.62 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.405 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -79.21 -16.64 56.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.144 0.497 . . . . 0.0 110.529 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' -9' ' ' SER . 30.5 m -96.32 156.32 37.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.555 176.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 106.01 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.676 2.251 . . . . 0.0 112.427 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -128.07 104.93 8.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.314 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.03 167.91 12.12 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.79 151.59 19.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.752 0.276 . . . . 0.0 110.725 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -85.71 -72.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.757 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.48 ' SD ' HG13 ' A' ' 68' ' ' VAL . 26.7 ttt -83.04 115.85 22.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 73' ' ' GLN . 65.7 mtt -89.79 55.1 3.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.075 -171.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HB3' HD13 ' A' ' 54' ' ' LEU . 72.6 t80 -81.55 101.74 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -99.34 102.25 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' HG ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -98.4 121.1 39.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.8 p -67.0 139.28 95.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.653 0.263 . . . . 0.0 111.244 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' OE2' ' A' ' 57' ' ' GLU . 59.8 Cg_exo -53.27 -35.91 76.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.021 2.481 . . . . 0.0 112.562 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.94 85.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.068 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.7 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.98 70.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.176 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.15 -33.92 74.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -73.17 -38.1 66.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 109.861 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.03 -43.63 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.912 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -59.52 -41.2 89.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.08 77.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.262 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' OG1' ' A' ' 21' ' ' THR . . . -78.01 -32.97 51.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.333 0.587 . . . . 0.0 110.128 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.26 -19.17 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.831 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.56 -21.29 66.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.911 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.22 147.74 16.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.8 175.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.5 -49.6 2.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.678 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.603 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 3.1 p -76.14 -10.97 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.26 133.6 56.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.282 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.96 -23.74 33.02 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.55 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.9 mtp -96.39 100.73 12.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 47' ' ' LEU . 61.7 m -66.41 158.65 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.438 -175.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 42' ' ' MET . 17.6 tp -78.94 112.53 16.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.883 -173.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 25.1 ttm-85 -99.72 131.74 45.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -99.61 123.26 43.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.055 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 117.99 34.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 102.21 13.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.23 114.27 4.11 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.834 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 43.9 mtt180 -81.25 116.13 20.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.274 . . . . 0.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' SER . 93.9 m-20 -96.22 159.22 32.56 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 77.44 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.063 2.509 . . . . 0.0 113.508 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 10.21 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.385 0.674 . . . . 0.0 112.126 173.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.39 -57.76 0.99 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 30.1 p -149.98 170.35 19.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.491 . . . . 0.0 111.32 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.9 mt -123.78 128.4 74.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.25 107.51 19.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.662 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.59 97.14 9.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.238 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -105.92 129.14 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 111.207 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' LEU . 27.7 ttm -106.86 127.52 53.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.039 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.7 141.84 7.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.05 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.26 124.89 25.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -137.41 -169.03 2.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.427 -170.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.25 147.48 40.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.155 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' SG ' ' A' ' 25' ' ' CYS . 7.6 tt -95.14 126.1 40.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.194 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 51' ' ' ASP . 13.7 m -137.69 133.66 34.47 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.66 -0.48 23.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' H ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -80.81 -20.02 43.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.46 175.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 48' ' ' THR . 7.0 m-20 -82.98 151.31 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.461 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 68' ' ' VAL . 31.6 mt -73.23 116.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 20.2 ttp180 -100.74 120.05 39.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 2' ' ' PHE . 75.0 mt -114.07 132.56 55.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.858 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 m -110.81 111.14 22.1 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -110.02 99.21 8.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 6' ' ' PRO . 39.3 tt0 70.75 -55.02 0.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 0.0 111.785 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.18 -31.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.954 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.78 126.48 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 28.8 tt0 -95.32 120.98 36.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 30.2 mm -104.61 130.17 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.187 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ARG . 8.9 m -117.4 113.03 41.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.24 0.543 . . . . 0.0 110.04 175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 61' ' ' ILE . 58.0 mt -118.47 119.5 61.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.158 0.504 . . . . 0.0 110.598 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . . . -66.26 142.15 97.68 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.646 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.7 -35.69 13.49 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.747 2.965 . . . . 0.0 113.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.76 -40.2 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.763 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 28.3 m-85 -89.0 -17.55 29.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 52' ' ' ILE . 83.2 t -55.41 -41.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.478 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -67.92 -14.63 63.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.47 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.93 -8.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.48 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.5 mt -122.81 8.85 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -174.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.23 135.03 38.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.367 . . . . 0.0 111.554 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 31.0 tt0 67.56 22.56 9.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.106 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 92' ' ' ASN . 51.8 p -87.13 141.59 28.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.13 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 12.0 m -103.88 120.87 41.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 88' ' ' PHE . 37.5 tp -103.93 116.16 31.76 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.958 0.409 . . . . 0.0 110.813 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -137.7 168.27 20.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.079 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -115.07 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.075 0.464 . . . . 0.0 110.672 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 81' ' ' LEU . 25.3 m -135.48 143.89 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.971 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.27 77.42 6.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.21 0.529 . . . . 0.0 109.855 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 79' ' ' VAL . 71.6 mt -66.02 -50.03 65.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.441 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 19.6 mm-40 -90.49 129.18 46.01 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.085 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.42 111.29 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.585 2.19 . . . . 0.0 112.297 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.74 -13.35 65.35 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.868 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 27.8 tp60 -120.6 107.11 12.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 111.061 -175.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -74.25 131.98 41.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -111.33 128.43 55.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.355 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB3' HD11 ' A' ' 76' ' ' LEU . 93.8 m-85 -78.21 116.43 18.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.7 pt -108.14 122.45 62.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.429 0.633 . . . . 0.0 110.913 -174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -86.2 102.28 13.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.562 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 59.5 mt -74.36 85.37 1.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 0.0 109.473 178.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 95' ' ' ASP . 19.3 t30 -92.43 124.65 58.69 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.287 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.35 -23.99 40.68 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.781 2.321 . . . . 0.0 112.929 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -101.62 6.97 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.66 0.267 . . . . 0.0 111.125 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.753 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 12.7 t70 -81.22 144.25 53.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 36.8 Cg_exo -62.16 -22.43 74.17 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.886 2.391 . . . . 0.0 113.283 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.3 p -115.21 116.18 27.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 91' ' ' LEU . 66.7 t80 72.17 119.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.519 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -135.83 129.14 18.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.289 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.87 150.9 6.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.53 2.82 . . . . 0.0 112.955 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -46.46 130.81 14.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.412 2.742 . . . . 0.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -73.53 -32.73 64.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.419 -177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.15 70.54 2.0 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.883 -0.954 . . . . 0.0 111.931 178.118 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.66 7.9 81.0 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.4 m -91.48 157.03 17.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.461 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 34.7 p -154.34 151.53 29.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.651 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -127.17 98.67 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -75.38 118.68 18.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.629 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -87.31 163.82 16.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.469 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -59.94 -35.39 74.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.6 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -64.96 -20.83 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.207 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -82.64 -3.8 56.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.158 0.504 . . . . 0.0 110.117 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 26.3 p -130.13 159.42 36.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 68.4 m -150.71 143.4 24.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 80.79 56.62 3.06 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -173.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.74 -42.34 9.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.745 0.307 . . . . 0.0 110.999 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' -5' ' ' PRO . 18.1 m -100.07 117.78 62.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 121.233 0.539 . . . . 0.0 111.912 -175.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' -6' ' ' VAL . 5.0 Cg_exo -79.85 127.14 6.87 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.046 2.497 . . . . 0.0 111.01 173.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.85 125.63 40.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.795 0.331 . . . . 0.0 110.436 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -171.19 -163.06 24.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.1 t -157.36 125.72 5.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -123.7 154.97 38.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -177.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.514 ' HG3' HD13 ' A' ' 63' ' ' ILE . 62.3 mmm -68.35 133.09 48.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.231 174.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt -84.9 30.39 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 110.835 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 74' ' ' THR . 66.4 t80 -110.4 135.02 51.75 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -155.16 124.48 6.33 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -95.53 159.24 15.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.922 171.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -73.3 160.04 83.51 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.729 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.89 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.597 2.198 . . . . 0.0 111.55 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.22 -48.03 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.336 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -61.08 -41.4 96.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.681 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.54 92.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.15 -24.7 60.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.423 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' ALA . 61.9 t -69.3 -41.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.549 173.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.58 -38.8 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.3 -46.93 79.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.387 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.2 93.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.068 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -63.08 -40.17 96.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -66.87 -35.7 80.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -73.4 -51.32 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.59 65.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.318 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 24.14 46.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.496 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -97.54 31.54 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.916 0.388 . . . . 0.0 110.929 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.77 -25.85 66.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.82 0.23 86.31 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.054 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -105.72 143.28 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 60' ' ' GLU . 7.8 t -94.77 152.09 18.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.696 0.284 . . . . 0.0 110.628 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 58.7 tp -77.34 113.98 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 110.619 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -109.28 132.72 53.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.384 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.5 129.31 39.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -106.93 117.84 35.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.923 0.392 . . . . 0.0 110.01 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.96 113.88 27.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.05 176.62 17.1 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -131.99 147.97 52.49 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.063 0.931 . . . . 0.0 111.688 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -96.43 145.73 30.08 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.608 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -57.04 -18.59 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.883 2.388 . . . . 0.0 112.978 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 111.058 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.08 38.06 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.792 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -82.3 153.65 25.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.57 129.05 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.67 95.03 9.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.52 116.3 23.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.06 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 72.5 mtm-85 -127.57 146.13 50.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.046 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.5 mtm -135.13 151.9 51.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.03 173.11 42.29 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.188 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 94.3 m-85 -86.94 124.79 33.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -137.49 -164.31 1.58 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.952 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -93.18 170.65 9.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD21 ' SG ' ' A' ' 25' ' ' CYS . 68.2 mt -108.54 133.86 52.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 0.0 111.343 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -105.16 -167.99 1.41 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 171.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -112.97 6.26 17.67 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.391 0.615 . . . . 0.0 109.851 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.14 -34.69 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.191 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . 55.2 m-20 -53.99 134.54 43.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.397 -174.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -80.55 116.94 25.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 170.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -84.86 105.79 15.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.576 -171.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -103.38 100.25 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.089 177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 60' ' ' GLU . 8.3 m -88.72 114.81 25.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.661 0.267 . . . . 0.0 110.392 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -124.81 110.0 13.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.282 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 69.63 -48.81 0.61 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.527 0.731 . . . . 0.0 112.102 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.49 -26.1 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.85 112.4 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 55' ' ' THR . 18.1 mt-10 -87.77 123.21 32.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.776 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 32.2 mt -100.23 106.24 18.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.129 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -106.31 123.97 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.143 0.497 . . . . 0.0 111.603 -175.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 61' ' ' ILE . 4.5 mp -129.68 121.0 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 143.86 98.97 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 48.0 Cg_exo -56.36 -20.07 31.03 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.116 2.544 . . . . 0.0 112.722 -176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.89 -28.94 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.188 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -100.37 -20.73 15.69 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.351 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 65' ' ' PRO . 79.4 t -50.38 -36.26 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -55.36 -28.61 55.0 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.75 -8.46 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 63' ' ' ILE . 79.2 mt -107.63 16.37 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 111.278 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' HH22 ' A' ' 94' ' ' ARG . 32.1 t70 -67.93 140.08 56.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.69 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.74 32.62 15.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.524 0.73 . . . . 0.0 112.75 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 24.8 m -103.68 107.69 18.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 111.797 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 11.6 m -96.77 139.9 32.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 88' ' ' PHE . 58.9 tp -123.29 135.5 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -146.35 166.61 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -129.38 132.12 46.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.9 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.16 147.38 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.0 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.07 93.94 8.73 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.29 -57.93 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 0.0 109.878 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.52 140.32 21.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.798 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.78 119.11 5.72 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.227 2.618 . . . . 0.0 112.764 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.77 23.29 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.164 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -99.86 101.03 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.935 0.398 . . . . 0.0 111.044 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.85 104.0 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -98.9 122.69 42.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.764 -170.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -76.63 127.17 32.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.84 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 pt -108.57 129.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.261 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -97.8 114.72 26.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 76.7 mt -86.46 40.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.828 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.628 ' HB3' ' HA ' ' A' ' 74' ' ' THR . 34.0 p-10 -111.66 147.0 35.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.794 178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 16.1 Cg_exo -69.96 29.83 0.19 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.541 2.827 . . . . 0.0 114.247 -173.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.548 HH22 ' HB3' ' A' ' 72' ' ' ASP . 12.5 ptt180 -148.74 11.85 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.147 -0.345 . . . . 0.0 111.517 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' O ' ' HG3' ' A' ' 99' ' ' ARG . 7.4 t70 -70.76 136.35 85.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 173.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.76 -26.56 30.82 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.01 2.473 . . . . 0.0 113.578 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.25 -33.43 19.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -104.16 20.35 18.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 95' ' ' ASP . 53.4 mtt180 -81.39 -46.95 1.1 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.712 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 92.6 Cg_exo -45.94 125.57 8.43 Favored 'Trans proline' 0 C--N 1.362 1.258 0 C-N-CA 122.307 2.004 . . . . 0.0 112.571 176.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 32.1 Cg_exo -59.51 -19.88 54.19 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.301 2.667 . . . . 0.0 113.049 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 p -89.14 8.66 28.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.824 0.345 . . . . 0.0 111.42 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.9 23.85 0.91 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.518 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.365 -1.242 . . . . 0.0 111.646 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.671 0.272 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 166.41 163.41 20.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.209 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 34.4 t -81.01 128.35 33.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 0.0 110.501 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 13.6 m -87.58 -26.33 23.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.477 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -89.87 140.62 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.151 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -106.99 132.14 53.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -83.41 -34.79 25.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.209 -175.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -72.49 126.92 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -86.15 105.87 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -87.24 -46.03 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.9 p -130.4 97.65 4.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.223 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 43.3 t -97.03 145.04 26.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.352 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -85.14 -17.51 62.69 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 66.9 tp -113.05 117.0 30.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.318 -0.441 . . . . 0.0 109.912 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 59.6 t -115.84 120.9 34.97 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.573 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 97.67 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.586 2.19 . . . . 0.0 111.595 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.29 150.43 41.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 76.88 37.02 34.63 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.047 -174.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 2.4 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.94 0.496 . . . . 0.0 112.241 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -81.92 -25.11 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.198 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 54' ' ' LEU . 47.9 mmm -150.7 136.54 18.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.055 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt -79.79 75.35 6.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.135 0.493 . . . . 0.0 110.734 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.91 104.62 5.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.232 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 75' ' ' THR . 92.3 mttt -85.01 102.72 13.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.119 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.7 tt -101.05 111.4 23.59 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 28.9 p -65.33 139.05 97.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 111.295 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 53.3 Cg_exo -53.15 -37.84 80.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.991 2.46 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.956 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.85 -38.81 80.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.429 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.58 73.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.54 -47.57 78.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.353 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.814 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 8' ' ' ALA . 96.3 t -60.9 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.945 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.65 -37.97 85.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.2 -52.64 61.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.202 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.8 97.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.492 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.58 96.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.112 0.482 . . . . 0.0 111.09 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.29 -25.15 54.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.96 -39.92 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.398 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.33 -28.44 65.98 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.79 -3.01 52.55 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.91 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -89.48 23.06 2.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.13 -21.9 64.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.96 -1.38 86.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.68 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 85.6 mtp -111.05 120.18 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 62' ' ' VAL . 10.1 t -69.18 149.87 48.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 61' ' ' ILE . 54.4 tp -77.66 115.27 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.77 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -102.62 132.07 48.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' A' ' 42' ' ' MET . 64.7 mt -101.64 118.82 37.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.747 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . . . -107.77 117.54 34.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.814 176.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.03 157.22 34.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.451 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -148.93 106.24 0.32 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.184 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.522 ' HG2' HG12 ' A' ' 38' ' ' ILE . 53.6 mtt85 -84.05 98.3 9.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -78.53 128.21 78.24 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.81 111.59 0.78 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.002 2.468 . . . . 0.0 112.292 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 62.51 23.25 13.8 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.46 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.18 -116.39 2.37 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.227 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 p -127.03 -179.57 4.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.522 HG12 ' HG2' ' A' ' 32' ' ' ARG . 86.2 mt -118.95 114.93 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.48 136.58 32.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -122.66 114.55 20.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.172 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -130.02 110.41 11.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.592 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.495 ' HG2' HD22 ' A' ' 28' ' ' LEU . 46.9 mtm -106.83 122.36 46.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.13 143.01 11.32 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.237 -0.983 . . . . 0.0 112.549 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.39 125.06 27.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.34 -172.69 3.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -171.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -86.34 137.3 32.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 110.251 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.846 ' HG ' HG11 ' A' ' 62' ' ' VAL . 6.9 tt -84.48 110.43 18.66 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.115 -173.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.3 152.61 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.428 171.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -83.18 -2.15 54.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.331 . . . . 0.0 111.526 -171.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -89.37 -18.79 26.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.534 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' ALA . 2.7 m-20 -72.69 143.35 48.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.065 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.75 124.88 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.069 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.2 mtt180 -84.05 111.42 19.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.987 0.422 . . . . 0.0 111.063 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 52.4 tp -102.63 100.48 10.55 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 m -99.34 116.28 31.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.9 p -88.05 -159.23 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.62 -1.78 32.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 110.909 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.14 -50.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.581 -0.818 . . . . 0.0 113.095 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.86 136.28 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 0.0 111.383 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.81 133.47 46.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 54' ' ' LEU . 74.7 mt -120.2 135.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -108.63 117.73 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 110.676 174.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 HG22 ' A' ' 61' ' ' ILE . 67.3 mt -122.55 103.34 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . . . -63.76 151.06 89.7 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.298 174.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.33 -26.72 21.52 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.037 2.491 . . . . 0.0 112.809 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -30.6 71.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.086 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' ' 29' ' ' ALA . 75.7 m-85 -100.12 -22.32 15.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 0' ' ' MET . 98.0 t -52.26 -38.64 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.128 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -72.13 -5.56 36.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD13 ' HA2' ' A' ' 31' ' ' GLY . 70.9 mt -126.42 8.67 7.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 -175.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 21.13 11.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.092 0.472 . . . . 0.0 111.141 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.06 145.68 29.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.493 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.813 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 84.9 mm-40 63.92 19.86 11.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.642 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.4 m -90.85 115.44 27.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.261 0.553 . . . . 0.0 111.344 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 3' ' ' LYS . 22.0 m -100.91 125.08 47.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.737 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HG ' ' A' ' 4' ' ' LEU . 61.4 tp -110.06 118.22 35.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.08 159.02 43.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -116.41 135.04 54.2 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.042 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.8 167.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -90.0 104.74 17.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.935 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.06 -43.29 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 10.8 mp0 -114.09 151.92 45.34 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.38 106.46 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.871 2.381 . . . . 0.0 112.558 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.56 67.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.096 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 82.6 mt-30 -128.33 112.15 14.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.358 0.599 . . . . 0.0 111.369 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.06 135.5 33.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.716 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -127.59 147.04 50.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.338 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' HB3' HD11 ' A' ' 76' ' ' LEU . 96.9 m-85 -81.59 124.97 29.99 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.9 pt -108.55 146.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.98 0.419 . . . . 0.0 110.218 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -112.28 102.23 10.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.115 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.716 ' HB3' ' HE2' ' A' ' 98' ' ' TYR . 96.2 mt -99.28 126.3 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.791 -177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.591 ' OD1' ' HB2' ' A' ' 95' ' ' ASP . 5.6 p30 -132.7 126.69 20.09 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.813 ' HD2' ' HB3' ' A' ' 73' ' ' GLN . 98.4 Cg_endo -84.3 -12.47 7.94 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.692 2.261 . . . . 0.0 112.914 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' HB2' ' HG3' ' A' ' 73' ' ' GLN . 57.2 ttt180 -75.89 -42.98 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.149 0.5 . . . . 0.0 110.649 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.591 ' HB2' ' OD1' ' A' ' 92' ' ' ASN . 21.4 m-20 -94.87 166.19 15.54 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.394 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.99 27.43 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.421 2.748 . . . . 0.0 114.5 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 95' ' ' ASP . 23.5 m -78.23 -38.99 41.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.976 0.417 . . . . 0.0 109.93 175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.735 ' HB2' ' HA ' ' A' ' 93' ' ' PRO . 1.5 m-85 -94.57 -33.77 12.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.719 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 98' ' ' TYR . 56.5 ttt180 74.6 118.16 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.481 0 O-C-N 123.911 0.757 . . . . 0.0 110.22 -172.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.42 120.14 6.35 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.753 2.302 . . . . 0.0 112.59 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.49 147.09 57.43 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.872 2.381 . . . . 0.0 111.568 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 m -99.69 163.66 12.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.27 -162.85 16.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.836 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.49 -1.172 . . . . 0.0 111.618 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 148.55 -107.35 0.36 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.915 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 59.5 p -144.52 149.75 36.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 11.6 m -58.61 -48.05 82.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -94.79 115.77 27.91 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.76 80.85 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.367 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.26 -64.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.607 175.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -95.07 123.88 38.8 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -114.56 174.49 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 -174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' -7' ' ' LEU . 9.8 m170 -110.08 171.93 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.899 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 43.8 t -167.5 166.08 14.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.383 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 22.7 t -72.47 -12.24 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.097 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . -78.64 -26.45 58.87 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.471 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' -11' ' ' HIS . 77.7 mt -84.37 100.91 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 61.1 t 68.38 89.96 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.993 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.06 -5.14 15.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.233 2.622 . . . . 0.0 112.36 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -67.36 -11.2 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.523 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -81.12 9.48 53.65 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.572 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.3 p -151.07 174.46 13.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 51.8 m80 62.35 98.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.276 0.56 . . . . 0.0 111.639 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' HD13 ' A' ' 54' ' ' LEU . 91.9 mmm -118.37 131.04 56.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 177.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm -95.77 21.86 7.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.151 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -72.02 110.87 6.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -94.49 104.33 16.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -105.19 129.64 53.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 p -76.1 130.1 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.199 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.67 -32.69 46.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.06 2.506 . . . . 0.0 112.774 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.73 97.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB2' ' HD1' ' A' ' 78' ' ' TYR . . . -73.18 -36.68 66.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.466 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.63 86.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.055 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.69 -32.72 74.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.762 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 HE22 ' HB2' ' A' ' 86' ' ' PHE . 52.2 tt0 -68.14 -46.53 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 HD22 ' A' ' 26' ' ' LEU . 61.2 t -61.88 -43.85 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.353 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.83 -43.13 98.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.375 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.36 -36.78 83.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.723 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.57 99.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -72.11 -40.85 67.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -59.96 -20.48 57.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.836 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -51.8 -28.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.18 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.1 -21.08 7.91 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.345 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.44 -53.82 4.57 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.369 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 16' ' ' ALA . 11.4 p -100.86 14.62 31.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.851 0.358 . . . . 0.0 111.446 -177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 27.5 tt0 -69.4 -37.91 77.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.32 13.44 33.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.215 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 78.7 mtp -118.51 -169.07 1.64 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.2 t -135.39 149.63 49.7 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.077 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 HG12 ' A' ' 61' ' ' ILE . 56.5 tp -69.65 116.48 10.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.812 ' HD3' ' HB3' ' A' ' 45' ' ' ASP . 43.1 ttt85 -118.71 122.54 42.72 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.717 -175.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.97 142.95 31.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -117.61 150.66 38.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.858 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.73 157.79 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.605 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.36 -163.66 27.36 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 41.8 mtm180 -126.38 144.47 50.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.373 0.587 . . . . 0.0 110.745 176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -96.89 143.1 25.54 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.24 -25.19 29.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.825 2.35 . . . . 0.0 112.443 176.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.84 -35.31 70.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.432 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -12.78 10.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.729 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 p -85.96 152.97 22.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.92 0.39 . . . . 0.0 110.772 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.3 mt -83.71 139.93 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.974 0.416 . . . . 0.0 110.315 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.15 128.7 40.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD1' HD23 ' A' ' 71' ' ' LEU . 84.8 m-85 -123.14 130.85 53.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 36.7 mtt85 -133.21 145.93 51.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 0.0 111.421 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 ttm -120.43 140.65 51.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.323 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.91 174.16 42.85 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.294 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.3 119.27 37.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.812 ' HB3' ' HD3' ' A' ' 27' ' ' ARG . 7.4 t70 -142.2 -164.21 1.76 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -173.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 45' ' ' ASP . 31.0 t70 -74.83 137.06 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 111.273 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.831 ' HG ' HG11 ' A' ' 62' ' ' VAL . 4.7 tt -87.14 108.93 19.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.283 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 p -89.92 173.8 8.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.408 . . . . 0.0 110.818 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -119.72 23.65 11.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.57 0.7 . . . . 0.0 109.685 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.2 -4.79 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.594 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' OD2' ' HB ' ' A' ' 62' ' ' VAL . 23.6 p-10 -109.81 176.85 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 68' ' ' VAL . 47.6 mt -89.42 118.36 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.263 0.554 . . . . 0.0 110.656 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -84.8 109.13 17.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 0' ' ' MET . 49.5 tp -102.16 152.03 21.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.911 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -142.09 108.31 5.24 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.7 p -102.81 90.62 3.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.985 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 73.14 -55.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 111.65 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.42 -30.28 0.11 Allowed Glycine 0 C--N 1.317 -0.48 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.855 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.34 134.8 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.57 133.88 36.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.767 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.656 HG12 HD23 ' A' ' 26' ' ' LEU . 68.7 mt -132.01 125.91 55.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.186 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HG ' ' A' ' 47' ' ' LEU . 3.7 m -98.58 118.64 45.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 61' ' ' ILE . 70.2 mt -127.18 115.8 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.858 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . -65.27 143.94 98.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.961 175.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 51' ' ' ASP . 88.4 Cg_exo -48.31 -28.83 12.0 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.31 2.673 . . . . 0.0 112.698 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.74 -56.59 18.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.635 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.09 -24.98 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.194 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 52' ' ' ILE . 86.2 t -54.95 -34.32 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.454 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.8 p -70.24 -15.36 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.696 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.43 -33.99 5.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.437 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 40' ' ' TYR . 86.9 mt -78.8 10.74 3.07 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.311 0.382 . . . . 0.0 112.017 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -82.04 130.28 35.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.555 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 70.29 12.6 7.6 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.999 0.812 . . . . 0.0 111.805 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -76.34 126.47 31.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 21.6 m -99.26 121.07 40.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD23 ' HG ' ' A' ' 4' ' ' LEU . 60.6 tp -110.97 124.54 52.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -146.29 159.15 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.777 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' HD1' ' HB2' ' A' ' 8' ' ' ALA . 13.2 p90 -109.46 128.57 55.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.707 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.92 139.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.573 . . . . 0.0 110.63 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -78.86 89.84 4.69 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.498 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -74.49 -46.12 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 85' ' ' GLN . 56.4 mm-40 -104.85 141.49 22.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.676 177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.34 111.64 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.0 2.467 . . . . 0.0 112.805 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.84 1.0 74.06 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.336 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 34.3 tt0 -117.66 115.12 24.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 0.0 110.405 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.406 ' HB2' HE22 ' A' ' 11' ' ' GLN . 93.6 m-85 -91.88 102.92 15.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.316 0.579 . . . . 0.0 109.855 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -98.55 122.16 41.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.861 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 76' ' ' LEU . 97.6 m-85 -75.01 132.01 41.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.216 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 pt -113.76 138.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 76' ' ' LEU . 86.9 m-85 -104.53 104.44 14.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.067 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 95.5 mt -92.02 121.94 34.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.088 0.471 . . . . 0.0 110.57 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.34 112.46 57.04 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.313 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.58 -19.11 60.33 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 123.001 2.467 . . . . 0.0 112.312 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -91.93 15.04 13.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 15.4 t70 -103.71 127.42 29.5 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.346 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 95' ' ' ASP . 48.7 Cg_exo -57.97 -18.41 35.31 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.424 2.75 . . . . 0.0 114.046 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -83.9 -18.06 38.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.157 0.503 . . . . 0.0 110.401 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -80.06 -37.99 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -136.96 97.48 11.0 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.56 172.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 70.5 Cg_endo -87.91 161.94 7.49 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.962 2.442 . . . . 0.0 113.037 -175.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 13.9 Cg_exo -69.79 104.53 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.676 2.251 . . . . 0.0 111.323 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -73.66 113.0 10.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.09 175.87 47.71 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.802 -0.999 . . . . 0.0 111.594 179.034 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.021 0.439 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 163.06 -82.65 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -59.45 112.24 1.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.269 0.557 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 4.9 p -155.64 32.47 0.36 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.093 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -67.22 104.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.476 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -66.04 -45.21 82.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.912 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.75 106.3 18.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 111.542 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -92.75 128.78 38.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -85.53 19.98 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 -175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -148.54 141.41 24.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.388 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 39.3 m -67.36 119.38 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 8.6 m -79.16 27.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 81.72 -24.01 4.67 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.72 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.46 -52.01 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.71 89.24 43.99 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -91.12 -175.39 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.113 2.542 . . . . 0.0 112.179 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -78.64 76.99 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.813 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.13 -158.05 28.36 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.1 p -108.82 -11.54 15.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.613 0.207 . . . . 0.0 111.38 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 85.8 t60 70.68 8.12 6.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.223 0.535 . . . . 0.0 111.009 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.518 ' HB2' HD13 ' A' ' 54' ' ' LEU . 95.4 mmm -71.43 126.45 29.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.767 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt -97.19 19.12 13.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -68.59 109.08 3.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.649 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HD3' HG23 ' A' ' 75' ' ' THR . 75.0 tttt -94.95 133.05 39.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.2 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 61' ' ' ILE . 10.0 tt -127.63 114.67 17.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.017 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' ALA . 14.3 m -65.81 137.06 96.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.84 -28.61 23.94 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.378 2.719 . . . . 0.0 112.704 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' A' ' 5' ' ' THR . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.069 0.461 . . . . 0.0 110.503 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.89 -31.3 45.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.83 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.056 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.9 -22.26 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.351 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 58.8 tp60 -75.88 -39.62 56.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.65 -42.89 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.797 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.17 -28.27 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.357 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 88.1 tttt -63.09 -41.34 99.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.685 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.05 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.596 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.33 -26.53 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.527 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.56 -18.04 64.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.83 159.75 35.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.535 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -55.43 1.42 Allowed Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.682 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -78.22 10.92 2.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.159 0.504 . . . . 0.0 111.382 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.93 105.75 6.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.393 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.9 -10.64 13.74 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 81.8 mtp -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.04 156.02 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.568 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.73 HD23 HG12 ' A' ' 61' ' ' ILE . 53.3 tp -74.08 101.42 3.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -103.36 122.58 45.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 42' ' ' MET . 63.0 mt -100.78 151.51 21.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.04 -175.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 133.55 30.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.977 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 117.97 23.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.685 0.278 . . . . 0.0 110.515 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.5 141.64 15.87 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.738 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -88.09 125.49 34.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.867 0.365 . . . . 0.0 110.522 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 32.3 m-80 -84.73 164.96 40.09 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 33' ' ' ASN . 88.4 Cg_exo -46.71 131.17 15.94 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.462 2.108 . . . . 0.0 112.57 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 86.94 -23.76 0.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.24 1.016 . . . . 0.0 112.799 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.45 -26.04 1.99 Allowed Glycine 0 CA--C 1.523 0.559 0 C-N-CA 119.001 -1.571 . . . . 0.0 115.676 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 33' ' ' ASN . 20.3 p -54.5 140.96 32.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.023 0.912 . . . . 0.0 111.924 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mt -98.4 133.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.734 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' HD21 ' A' ' 33' ' ' ASN . 27.8 t70 -102.79 120.38 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 171.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -98.91 125.38 44.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -126.57 139.9 52.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.346 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 28' ' ' LEU . 62.0 mtp -122.48 145.93 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.56 178.16 40.52 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.258 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.71 135.0 51.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -155.28 -176.94 6.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -87.84 178.87 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 62' ' ' VAL . 96.0 mt -110.4 139.17 45.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 112.331 -172.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 p -116.92 146.09 43.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 167.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -77.02 9.93 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.387 0.613 . . . . 0.0 110.882 -175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -104.94 -1.87 25.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.931 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -83.31 157.15 22.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 68' ' ' VAL . 53.7 mt -98.28 116.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.77 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' ' 62' ' ' VAL . 77.1 mtp180 -90.36 135.25 33.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.143 -174.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 0' ' ' MET . 58.1 tp -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.417 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.73 118.89 37.72 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.695 0.283 . . . . 0.0 110.338 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p -100.56 -84.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.029 0.443 . . . . 0.0 111.492 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -102.35 23.44 11.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 -30.73 6.84 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.6 130.99 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.67 122.61 32.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.103 0.477 . . . . 0.0 110.219 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.73 HG12 HD23 ' A' ' 26' ' ' LEU . 77.5 mt -108.04 139.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.456 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG11 HD22 ' A' ' 47' ' ' LEU . 11.0 m -126.46 123.42 63.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.571 0.7 . . . . 0.0 111.066 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.7 mt -122.95 116.1 47.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.802 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 138.98 97.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 75.8 Cg_exo -50.01 -26.32 14.23 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.223 2.615 . . . . 0.0 113.209 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.83 -35.95 82.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.267 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.38 -21.72 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.05 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 52' ' ' ILE . 73.4 t -52.25 -33.34 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -122.71 9.45 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.199 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.2 mt -130.11 30.52 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 111.682 -175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD2' ' HG3' ' A' ' 73' ' ' GLN . 31.9 t70 -120.73 143.5 48.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.444 ' HG3' ' OD2' ' A' ' 72' ' ' ASP . 99.1 mt-30 69.16 10.34 7.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.836 0.71 . . . . 0.0 112.128 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 92' ' ' ASN . 19.1 p -84.24 116.91 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.703 0.287 . . . . 0.0 110.763 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 64.0 m -81.59 103.9 11.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.103 0.478 . . . . 0.0 110.435 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 88' ' ' PHE . 49.0 tp -86.83 118.2 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -117.28 168.76 10.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -120.33 105.03 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.632 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 81' ' ' LEU . 15.6 m -139.11 174.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 41.9 tt0 -102.41 109.28 20.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.299 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 87' ' ' HIS . 4.0 mm? -91.99 -20.8 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -134.17 139.23 32.44 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.901 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.42 110.15 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.735 2.29 . . . . 0.0 112.69 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.68 10.63 82.97 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.476 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -142.19 106.69 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' GLU . 97.9 m-85 -73.98 139.27 44.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.103 178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.695 ' HB3' HD23 ' A' ' 81' ' ' LEU . 67.7 t60 -128.99 136.27 50.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.768 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' HD11 ' A' ' 76' ' ' LEU . 85.7 m-85 -75.6 128.06 34.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 81' ' ' LEU . 29.6 pt -109.96 129.91 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 0.0 110.708 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -105.57 100.66 10.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.332 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 92.9 mt -80.13 90.08 5.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.559 0.695 . . . . 0.0 110.21 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' THR . 53.1 t-20 -96.36 119.34 64.39 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.226 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.71 -19.23 64.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.862 2.375 . . . . 0.0 112.682 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -95.17 -37.71 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.751 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 30.2 t70 -137.22 82.86 28.5 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.064 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -84.89 142.81 9.12 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -63.96 -22.59 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -115.9 124.77 51.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.4 126.02 8.02 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.876 0.37 . . . . 0.0 110.372 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 57.5 Cg_endo -72.42 151.15 53.29 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 15.6 Cg_exo -68.75 169.3 17.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.809 2.339 . . . . 0.0 111.548 175.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.0 p -62.45 -39.16 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.002 0.43 . . . . 0.0 111.275 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.08 -0.3 51.22 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.451 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.497 -1.168 . . . . 0.0 111.4 -179.827 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -20' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -19' ' ' GLY . . . . . . . . . . . . . . . 116.05 8.39 13.45 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.671 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -18' ' ' SER . . . . . . . . . . . . . 15.8 m -70.6 -2.96 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.418 . . . . 0.0 111.558 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -17' ' ' SER . . . . . . . . . . . . . 14.6 p -77.26 -14.26 59.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -16' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -86.45 14.16 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.472 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -91.46 -7.22 51.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.517 . . . . 0.0 109.801 173.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -140.6 141.48 35.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.232 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -72.8 107.84 5.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.212 0.53 . . . . 0.0 110.79 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -98.31 102.88 14.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.88 156.11 16.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.3 m -65.62 102.66 0.75 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 19.2 m -84.47 113.57 21.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.605 -175.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 129.43 38.29 0.34 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.878 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.05 106.39 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.942 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' VAL . . . . . 0.461 HG12 ' HG2' ' A' ' -4' ' ' ARG . 43.3 t -89.13 113.02 54.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.58 31.37 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.19 2.593 . . . . 0.0 113.768 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' ARG . . . . . 0.461 ' HG2' HG12 ' A' ' -6' ' ' VAL . 43.7 mmt-85 -84.65 -21.82 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -82.55 59.94 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.971 -176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.5 t -142.42 -73.0 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -99.49 111.95 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.1 tmm? -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.034 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB2' ' H ' ' A' ' 73' ' ' GLN . 94.2 mmm -79.27 88.46 4.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -177.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.49 113.2 12.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -100.76 141.07 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.795 0.331 . . . . 0.0 110.529 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.98 134.47 33.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.1 p -80.14 142.77 55.72 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.717 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.87 -32.24 84.36 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.695 2.264 . . . . 0.0 111.951 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.5 73.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.058 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.5 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.592 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.43 -33.83 75.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.593 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -72.72 -39.57 66.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.16 -41.91 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.744 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 27.8 tp -63.14 -37.76 88.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.254 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 88.3 tttt -60.51 -34.25 73.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.748 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . . . -65.08 -23.89 67.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -33.29 15.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.603 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 97.1 mttt -58.4 -36.87 74.22 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 9.9 pt20 -71.34 -12.78 61.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.52 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' OE2' ' A' ' 22' ' ' GLU . . . 105.18 174.39 24.32 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.14 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.29 -62.97 2.77 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.337 -0.458 . . . . 0.0 112.424 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 p -100.16 22.37 11.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.925 0.393 . . . . 0.0 111.444 -175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE2' ' HA2' ' A' ' 19' ' ' GLY . 49.6 mt-10 -62.28 -45.51 92.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.578 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.06 31.03 7.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.382 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.24 134.96 50.01 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.7 t -86.03 150.07 24.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 61' ' ' ILE . 51.9 tp -71.05 109.38 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.935 0.397 . . . . 0.0 110.186 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -101.9 127.8 48.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 42' ' ' MET . 50.3 mt -99.27 130.8 45.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 111.33 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 41' ' ' ARG . . . -118.84 148.03 43.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.622 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 157.02 45.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.08 -167.3 31.19 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -110.3 133.39 53.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 117.184 0.492 . . . . 0.0 109.881 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 41.8 t-20 -123.3 122.13 26.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.871 -174.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.13 -31.64 90.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.017 2.478 . . . . 0.0 112.831 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -97.79 -44.51 6.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.277 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.73 29.44 12.04 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.228 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.1 p 53.0 -88.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.883 . . . . 0.0 112.599 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -106.58 128.14 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 33' ' ' ASN . 11.5 t70 -89.96 118.25 29.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.584 -173.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -115.68 127.71 55.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 73.4 mtt180 -128.6 125.57 38.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 110.606 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.512 ' HG2' HD22 ' A' ' 28' ' ' LEU . 48.1 mtm -115.91 109.17 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.734 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.71 136.12 7.82 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.366 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -67.01 125.8 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.19 -164.15 1.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.3 143.02 58.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.472 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tt -99.23 101.74 13.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.7 m -103.58 141.77 35.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.013 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.28 20.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -108.25 -10.04 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.415 0.626 . . . . 0.0 109.573 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.94 166.37 12.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.294 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 68' ' ' VAL . 62.4 mt -89.74 123.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -95.46 133.07 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 0' ' ' MET . 99.1 mt -119.67 144.01 47.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.242 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -129.9 94.75 3.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -86.09 -83.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.699 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -102.47 16.32 26.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.422 -175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.08 7.35 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.24 125.42 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.93 134.6 33.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 26' ' ' LEU . 65.5 mt -123.11 137.64 55.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.207 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 m -113.89 124.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.241 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HD12 ' A' ' 28' ' ' LEU . 71.0 mt -124.16 121.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.081 -177.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 143.25 91.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.269 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.85 -35.63 40.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.671 2.914 . . . . 0.0 113.231 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.42 -39.82 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -84.69 -21.84 30.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.227 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 52' ' ' ILE . 95.1 t -51.69 -36.75 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.331 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 m -67.32 -10.39 50.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.94 0.39 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.3 -0.25 . . . . 0.0 111.387 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.6 mt -109.46 -17.68 13.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -79.28 153.88 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.088 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' H ' ' HB2' ' A' ' 1' ' ' MET . 89.1 mt-30 73.98 20.85 2.74 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.713 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.2 p -107.31 163.41 13.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 0.0 111.72 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 91' ' ' LEU . 89.9 m -134.13 128.89 35.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.935 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 88' ' ' PHE . 65.6 tp -109.37 127.08 54.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 -176.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -146.46 166.12 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' HD2' ' HB3' ' A' ' 86' ' ' PHE . 8.6 p90 -123.04 138.71 54.61 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.836 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.0 m -136.57 157.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.19 85.48 5.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.332 0.587 . . . . 0.0 110.075 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.65 -28.41 65.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.145 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 85' ' ' GLN . 31.3 mt-10 -131.09 126.97 21.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.95 108.53 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.17 -20.04 28.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.134 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 51.0 mt-30 -116.43 100.93 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 111.027 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 78' ' ' TYR . 99.5 m-85 -82.15 106.69 14.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.553 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -98.41 143.64 28.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -174.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 76' ' ' LEU . 90.8 m-85 -85.37 128.83 34.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.096 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 pt -111.74 133.04 58.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.094 0.473 . . . . 0.0 110.479 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.82 111.45 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.191 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 75' ' ' THR . 96.3 mt -84.43 110.8 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.097 0.475 . . . . 0.0 110.749 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.0 t-20 -126.02 115.28 24.11 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.434 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 92' ' ' ASN . 2.9 Cg_exo -76.41 -8.87 18.67 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.268 2.646 . . . . 0.0 113.885 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -73.8 -62.52 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.07 92.88 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.904 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -90.87 178.49 1.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.93 2.42 . . . . 0.0 112.128 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 m -70.85 -22.65 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.227 0.537 . . . . 0.0 110.16 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -79.0 85.4 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -108.61 149.49 39.49 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.785 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.9 Cg_exo -69.6 111.23 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.381 2.054 . . . . 0.0 110.904 172.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 100' ' ' PRO . 32.5 Cg_exo -59.25 -30.48 93.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.068 2.512 . . . . 0.0 113.159 -174.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -86.18 -2.59 58.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 111.331 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.2 -171.35 28.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.128 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.471 -1.183 . . . . 0.0 111.621 -179.984 . . . . . . . . 0 0 . 1 stop_ save_